2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid

C14H9ClN2O4S — CID 110757054

IUPAC2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H9ClN2O4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-13-4-2-1-3-9(13)8-16/h1-7,17H,(H,18,19)
InChIKeyAYYGRNJCDUAYKO-UHFFFAOYSA-N
MW336.76 g/mol
LogP2.71
Rot. Bonds4

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

2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid (PubChem CID 110757054) has the molecular formula C14H9ClN2O4S and a molecular weight of 336.76 g/mol. Its IUPAC name is 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
PubChem CID110757054
Molecular FormulaC14H9ClN2O4S
Molecular Weight336.76 g/mol
Exact Mass336.00
IUPAC Name2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H9ClN2O4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-13-4-2-1-3-9(13)8-16/h1-7,17H,(H,18,19)
InChIKeyAYYGRNJCDUAYKO-UHFFFAOYSA-N
XLogP2.71
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
2-chloro-5-(cyanosulfamoyl)benzoic acid
CID 79193576
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061726
2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 87026587
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid (CID 110757054) is 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid is N#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid?
The InChIKey is AYYGRNJCDUAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4S/c15-12-6-5-10(7-11(12)14(18)19)22(20,21)17-13-4-2-1-3-9(13)8-16/h1-7,17H,(H,18,19).
What are the key properties of 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid?
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid has a molecular weight of 336.76 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 110757054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).