N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

C13H10N2O4S3 — CID 71661524

IUPACN-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c(-c2ccc(NS(=O)(=O)c3cccs3)c(O)c2)cs1
InChIInChI=1S/C13H10N2O4S3/c16-11-6-8(10-7-21-13(17)14-10)3-4-9(11)15-22(18,19)12-2-1-5-20-12/h1-7,15-16H,(H,14,17)
InChIKeyIRHWTKUUHQJNEM-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.67
Rot. Bonds4

About N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 71661524) has the molecular formula C13H10N2O4S3 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
PubChem CID71661524
Molecular FormulaC13H10N2O4S3
Molecular Weight354.43 g/mol
Exact Mass353.98
IUPAC NameN-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c(-c2ccc(NS(=O)(=O)c3cccs3)c(O)c2)cs1
InChIInChI=1S/C13H10N2O4S3/c16-11-6-8(10-7-21-13(17)14-10)3-4-9(11)15-22(18,19)12-2-1-5-20-12/h1-7,15-16H,(H,14,17)
InChIKeyIRHWTKUUHQJNEM-UHFFFAOYSA-N
XLogP2.67
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-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

N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide
CID 71661709
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 110868467
N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 43398038
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
CID 4988902

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (CID 71661524) is N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is O=c1[nH]c(-c2ccc(NS(=O)(=O)c3cccs3)c(O)c2)cs1.
What is the InChIKey of N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is IRHWTKUUHQJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S3/c16-11-6-8(10-7-21-13(17)14-10)3-4-9(11)15-22(18,19)12-2-1-5-20-12/h1-7,15-16H,(H,14,17).
What are the key properties of N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71661524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).