Sulfatolamid

Sulfatolamid
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	1161-88-2^Y
ATC kod	G01AE01 (WHO)
PubChem	CID 3034019
UNII	3OLH2HAK9F^Y
KEGG	D01127^Y
Hemijski podaci
Formula	C₁₄H₁₉N₅O₄S₃
Molarna masa	417,527
SMILES NCc1ccc(cc1)S(=O)(=O)N.NC(=S)NS(=O)(=O)c2ccc(N)cc2
InChI InChI=1S/C7H9N3O2S2.C7H10N2O2S/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13;8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,8H2,(H3,9,10,13);1-4H,5,8H2,(H2,9,10,11)^Y Key:ZLYHTQKHXIVMLY-UHFFFAOYSA-N^Y

Sulfatolamid je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 417,527 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	5
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	0,1
Rastvorljivost^[2] (logS, log(mol/L))	-6,0
Polarna površina^[3] (PSA, Å²)	233,2

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.