2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid

C10H7ClN2O4S2 — CID 4739578

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O4S2/c11-7-3-4-8(18-7)19(16,17)13-9-6(10(14)15)2-1-5-12-9/h1-5H,(H,12,13)(H,14,15)
InChIKeyCBMMCUHQVBRBII-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.30
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 4739578) has the molecular formula C10H7ClN2O4S2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID4739578
Molecular FormulaC10H7ClN2O4S2
Molecular Weight318.76 g/mol
Exact Mass317.95
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O4S2/c11-7-3-4-8(18-7)19(16,17)13-9-6(10(14)15)2-1-5-12-9/h1-5H,(H,12,13)(H,14,15)
InChIKeyCBMMCUHQVBRBII-UHFFFAOYSA-N
XLogP2.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid 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

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53024698
2-(azepan-1-yl)-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024673
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid (CID 4739578) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is CBMMCUHQVBRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S2/c11-7-3-4-8(18-7)19(16,17)13-9-6(10(14)15)2-1-5-12-9/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 4739578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).