4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid

C14H12ClNO5S — CID 56821059

IUPAC4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO5S/c1-21-10-4-7-13(12(15)8-10)16-22(19,20)11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyDATXAVZTKUFLIM-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.85
Rot. Bonds5

About 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid

4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 56821059) has the molecular formula C14H12ClNO5S and a molecular weight of 341.77 g/mol. Its IUPAC name is 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID56821059
Molecular FormulaC14H12ClNO5S
Molecular Weight341.77 g/mol
Exact Mass341.01
IUPAC Name4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO5S/c1-21-10-4-7-13(12(15)8-10)16-22(19,20)11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyDATXAVZTKUFLIM-UHFFFAOYSA-N
XLogP2.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 92674197
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid (CID 56821059) is 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is DATXAVZTKUFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5S/c1-21-10-4-7-13(12(15)8-10)16-22(19,20)11-5-2-9(3-6-11)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid?
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 341.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 56821059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).