2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate

C14H11ClNO4S- — CID 6921137

IUPAC2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-3-2-4-10(7-9)16-21(19,20)11-5-6-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyILEGAEKNESXVDF-UHFFFAOYSA-M
MW324.77 g/mol
LogP1.81
Rot. Bonds4

About 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate

2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 6921137) has the molecular formula C14H11ClNO4S- and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID6921137
Molecular FormulaC14H11ClNO4S-
Molecular Weight324.77 g/mol
Exact Mass324.01
IUPAC Name2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-3-2-4-10(7-9)16-21(19,20)11-5-6-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyILEGAEKNESXVDF-UHFFFAOYSA-M
XLogP1.81
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 75376807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate (CID 6921137) is 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1.
What is the InChIKey of 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is ILEGAEKNESXVDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-3-2-4-10(7-9)16-21(19,20)11-5-6-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate?
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 324.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 6921137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).