2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid

C15H14ClNO6S — CID 52863453

IUPAC2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO6S/c1-22-10-7-12(15(18)19)14(13(8-10)23-2)17-24(20,21)11-5-3-4-9(16)6-11/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLOGLYRTYMXHPOT-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid

2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid (PubChem CID 52863453) has the molecular formula C15H14ClNO6S and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
PubChem CID52863453
Molecular FormulaC15H14ClNO6S
Molecular Weight371.80 g/mol
Exact Mass371.02
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO6S/c1-22-10-7-12(15(18)19)14(13(8-10)23-2)17-24(20,21)11-5-3-4-9(16)6-11/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLOGLYRTYMXHPOT-UHFFFAOYSA-N
XLogP2.86
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863495
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
3,4,5-trimethoxy-2-[(3-methoxycarbonylphenyl)sulfonylamino]benzoic acid
CID 31703151
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
2-[[4-[4-[(2-carboxy-6-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-3-methoxybenzoic acid
CID 11250505
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330272
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid (CID 52863453) is 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid is COc1cc(OC)c(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The InChIKey is LOGLYRTYMXHPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S/c1-22-10-7-12(15(18)19)14(13(8-10)23-2)17-24(20,21)11-5-3-4-9(16)6-11/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid?
2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid has a molecular weight of 371.80 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 52863453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).