5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C12H9Cl2NO4S2 — CID 43172847

IUPAC5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)O
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-5-9(20-11(6)12(16)17)15-21(18,19)8-4-2-3-7(13)10(8)14/h2-5,15H,1H3,(H,16,17)
InChIKeyBXGOXOZFMHDUQF-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.86
Rot. Bonds4

About 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43172847) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43172847
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)O
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-5-9(20-11(6)12(16)17)15-21(18,19)8-4-2-3-7(13)10(8)14/h2-5,15H,1H3,(H,16,17)
InChIKeyBXGOXOZFMHDUQF-UHFFFAOYSA-N
XLogP3.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2,3-dichlorophenyl)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-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
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-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 103298683
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356654
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43172847) is 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)sc1C(=O)O.
What is the InChIKey of 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BXGOXOZFMHDUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c1-6-5-9(20-11(6)12(16)17)15-21(18,19)8-4-2-3-7(13)10(8)14/h2-5,15H,1H3,(H,16,17).
What are the key properties of 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 366.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43172847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).