2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid

C10H12ClNO6S2 — CID 107089953

IUPAC2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO6S2/c1-19(15,16)5-4-12-20(17,18)7-2-3-8(10(13)14)9(11)6-7/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyTVWAQGZFRMMAFX-UHFFFAOYSA-N
MW341.79 g/mol
LogP0.36
Rot. Bonds6

About 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid

2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid (PubChem CID 107089953) has the molecular formula C10H12ClNO6S2 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
PubChem CID107089953
Molecular FormulaC10H12ClNO6S2
Molecular Weight341.79 g/mol
Exact Mass340.98
IUPAC Name2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO6S2/c1-19(15,16)5-4-12-20(17,18)7-2-3-8(10(13)14)9(11)6-7/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyTVWAQGZFRMMAFX-UHFFFAOYSA-N
XLogP0.36
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(2-methylsulfonylethylsulfamoyl)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-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
2-chloro-4-(2-ethylsulfinylethylsulfamoyl)benzoic acid
CID 107090287
2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
CID 104654540
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
2-chloro-4-(3-methylsulfonylpropylsulfonyl)benzoic acid
CID 107090485
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid (CID 107089953) is 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid is CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid?
The InChIKey is TVWAQGZFRMMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S2/c1-19(15,16)5-4-12-20(17,18)7-2-3-8(10(13)14)9(11)6-7/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid?
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid has a molecular weight of 341.79 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 107089953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).