3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid

C12H8N2O4S2 — CID 106265350

IUPAC3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C12H8N2O4S2/c13-7-10-4-5-11(19-10)20(17,18)14-9-3-1-2-8(6-9)12(15)16/h1-6,14H,(H,15,16)
InChIKeyQQJYZTFLEBJFKB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.12
Rot. Bonds4

About 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid

3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 106265350) has the molecular formula C12H8N2O4S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID106265350
Molecular FormulaC12H8N2O4S2
Molecular Weight308.34 g/mol
Exact Mass307.99
IUPAC Name3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C12H8N2O4S2/c13-7-10-4-5-11(19-10)20(17,18)14-9-3-1-2-8(6-9)12(15)16/h1-6,14H,(H,15,16)
InChIKeyQQJYZTFLEBJFKB-UHFFFAOYSA-N
XLogP2.12
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoate
CID 106273151
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
6-[(5-cyanothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 106265503
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid (CID 106265350) is 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid is N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is QQJYZTFLEBJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S2/c13-7-10-4-5-11(19-10)20(17,18)14-9-3-1-2-8(6-9)12(15)16/h1-6,14H,(H,15,16).
What are the key properties of 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid?
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 106265350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).