5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide

C22H15N3O4S4 — CID 59679841

IUPAC5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3ccncc3s2)c1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C22H15N3O4S4/c26-32(27,17-7-2-1-3-8-17)20-9-10-21(31-20)33(28,29)25-16-6-4-5-15(13-16)22-24-18-11-12-23-14-19(18)30-22/h1-14,25H
InChIKeyXBHRYZBYQJIICH-UHFFFAOYSA-N
MW513.65 g/mol
LogP5.05
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide

5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 59679841) has the molecular formula C22H15N3O4S4 and a molecular weight of 513.65 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID59679841
Molecular FormulaC22H15N3O4S4
Molecular Weight513.65 g/mol
Exact Mass512.99
IUPAC Name5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3ccncc3s2)c1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C22H15N3O4S4/c26-32(27,17-7-2-1-3-8-17)20-9-10-21(31-20)33(28,29)25-16-6-4-5-15(13-16)22-24-18-11-12-23-14-19(18)30-22/h1-14,25H
InChIKeyXBHRYZBYQJIICH-UHFFFAOYSA-N
XLogP5.05
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.65
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
CID 59680243
2,2-dimethyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4-dihydrochromene-6-sulfonamide
CID 59679914
5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 5097147
5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
2-naphthalen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 170404333
5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide
CID 71213865
5-(benzenesulfonyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)thiophene-2-sulfonamide
CID 71520247
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 8517003
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 59679979
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide (CID 59679841) is 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2nc3ccncc3s2)c1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XBHRYZBYQJIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4S4/c26-32(27,17-7-2-1-3-8-17)20-9-10-21(31-20)33(28,29)25-16-6-4-5-15(13-16)22-24-18-11-12-23-14-19(18)30-22/h1-14,25H.
What are the key properties of 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 513.65 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 59679841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).