2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid

C20H17ClN2O5S — CID 58937137

IUPAC2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C20H17ClN2O5S/c1-28-16-8-6-14(7-9-16)22-13-2-4-15(5-3-13)23-29(26,27)17-10-11-19(21)18(12-17)20(24)25/h2-12,22-23H,1H3,(H,24,25)
InChIKeyNPMKZGGKTAKLGQ-UHFFFAOYSA-N
MW432.89 g/mol
LogP4.59
Rot. Bonds7

About 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid

2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid (PubChem CID 58937137) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
PubChem CID58937137
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC Name2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C20H17ClN2O5S/c1-28-16-8-6-14(7-9-16)22-13-2-4-15(5-3-13)23-29(26,27)17-10-11-19(21)18(12-17)20(24)25/h2-12,22-23H,1H3,(H,24,25)
InChIKeyNPMKZGGKTAKLGQ-UHFFFAOYSA-N
XLogP4.59
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2-(benzenesulfonyloxy)-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 45475412
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46292269
1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803245
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid (CID 58937137) is 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid is COc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)cc2)cc1.
What is the InChIKey of 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid?
The InChIKey is NPMKZGGKTAKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c1-28-16-8-6-14(7-9-16)22-13-2-4-15(5-3-13)23-29(26,27)17-10-11-19(21)18(12-17)20(24)25/h2-12,22-23H,1H3,(H,24,25).
What are the key properties of 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid?
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid has a molecular weight of 432.89 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 58937137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).