3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid

C14H12ClNO4S — CID 103768285

IUPAC3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-5-6-12(15)13(7-9)16-21(19,20)11-4-2-3-10(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyXEDIHSVEOCOHMB-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

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

3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 103768285) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
PubChem CID103768285
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-5-6-12(15)13(7-9)16-21(19,20)11-4-2-3-10(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyXEDIHSVEOCOHMB-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
3-[(6-bromo-2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103907841
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid (CID 103768285) is 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(Cl)c(NS(=O)(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is XEDIHSVEOCOHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-5-6-12(15)13(7-9)16-21(19,20)11-4-2-3-10(8-11)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid?
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 325.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 103768285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).