5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H7ClN2O4S2 — CID 61027646

IUPAC5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H7ClN2O4S2/c13-8-2-1-7(6-14)9(5-8)15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,(H,16,17)
InChIKeyNDYCTYGEGLGWBK-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.77
Rot. Bonds4

About 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027646) has the molecular formula C12H7ClN2O4S2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027646
Molecular FormulaC12H7ClN2O4S2
Molecular Weight342.79 g/mol
Exact Mass341.95
IUPAC Name5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H7ClN2O4S2/c13-8-2-1-7(6-14)9(5-8)15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,(H,16,17)
InChIKeyNDYCTYGEGLGWBK-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-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61027646) is 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid is N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is NDYCTYGEGLGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4S2/c13-8-2-1-7(6-14)9(5-8)15-21(18,19)11-4-3-10(20-11)12(16)17/h1-5,15H,(H,16,17).
What are the key properties of 5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-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-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).