5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C13H12ClNO4S2 — CID 43361345

IUPAC5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1
InChIInChI=1S/C13H12ClNO4S2/c1-7-3-4-10(9(14)5-7)21(18,19)15-11-6-8(2)12(20-11)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeySCTAMZOWGPZUFX-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.52
Rot. Bonds4

About 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43361345) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43361345
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1
InChIInChI=1S/C13H12ClNO4S2/c1-7-3-4-10(9(14)5-7)21(18,19)15-11-6-8(2)12(20-11)13(16)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeySCTAMZOWGPZUFX-UHFFFAOYSA-N
XLogP3.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic 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

5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172847
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 29300535
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 103298683
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43361345) is 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is SCTAMZOWGPZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-7-3-4-10(9(14)5-7)21(18,19)15-11-6-8(2)12(20-11)13(16)17/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 345.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).