5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid

C12H7ClN2O4S2 — CID 43236887

IUPAC5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1Cl
InChIInChI=1S/C12H7ClN2O4S2/c13-10-4-9(2-1-7(10)5-14)15-21(18,19)11-3-8(6-20-11)12(16)17/h1-4,6,15H,(H,16,17)
InChIKeyKUEKGGVNLGXCEF-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.77
Rot. Bonds4

About 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43236887) has the molecular formula C12H7ClN2O4S2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43236887
Molecular FormulaC12H7ClN2O4S2
Molecular Weight342.79 g/mol
Exact Mass341.95
IUPAC Name5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1Cl
InChIInChI=1S/C12H7ClN2O4S2/c13-10-4-9(2-1-7(10)5-14)15-21(18,19)11-3-8(6-20-11)12(16)17/h1-4,6,15H,(H,16,17)
InChIKeyKUEKGGVNLGXCEF-UHFFFAOYSA-N
XLogP2.77
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 39832395
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 43236887) is 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid is N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is KUEKGGVNLGXCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4S2/c13-10-4-9(2-1-7(10)5-14)15-21(18,19)11-3-8(6-20-11)12(16)17/h1-4,6,15H,(H,16,17).
What are the key properties of 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 342.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43236887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).