4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid

C11H12ClNO6S — CID 61457059

IUPAC4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H12ClNO6S/c1-2-19-10(14)6-20(17,18)13-9-5-7(12)3-4-8(9)11(15)16/h3-5,13H,2,6H2,1H3,(H,15,16)
InChIKeyBNWOLPFBKWOEFP-UHFFFAOYSA-N
MW321.74 g/mol
LogP1.34
Rot. Bonds6

About 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid

4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid (PubChem CID 61457059) has the molecular formula C11H12ClNO6S and a molecular weight of 321.74 g/mol. Its IUPAC name is 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
PubChem CID61457059
Molecular FormulaC11H12ClNO6S
Molecular Weight321.74 g/mol
Exact Mass321.01
IUPAC Name4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H12ClNO6S/c1-2-19-10(14)6-20(17,18)13-9-5-7(12)3-4-8(9)11(15)16/h3-5,13H,2,6H2,1H3,(H,15,16)
InChIKeyBNWOLPFBKWOEFP-UHFFFAOYSA-N
XLogP1.34
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic 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-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361877
4-chloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43170498
4-chloro-2-(methylsulfamoylamino)benzoic acid
CID 114805243
methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
CID 61456896
2-(tert-butylsulfonylamino)-4-chlorobenzoic acid
CID 63688405
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid (CID 61457059) is 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid is CCOC(=O)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid?
The InChIKey is BNWOLPFBKWOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO6S/c1-2-19-10(14)6-20(17,18)13-9-5-7(12)3-4-8(9)11(15)16/h3-5,13H,2,6H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid?
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid has a molecular weight of 321.74 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 61457059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).