5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide

C12H8ClFN2O2S2 — CID 103099977

IUPAC5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C#N)cc2F)sc1Cl
InChIInChI=1S/C12H8ClFN2O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-8(6-15)5-9(10)14/h2-5,16H,1H3
InChIKeyHHIVEEZOPNZZFS-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103099977) has the molecular formula C12H8ClFN2O2S2 and a molecular weight of 330.79 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID103099977
Molecular FormulaC12H8ClFN2O2S2
Molecular Weight330.79 g/mol
Exact Mass329.97
IUPAC Name5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C#N)cc2F)sc1Cl
InChIInChI=1S/C12H8ClFN2O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-8(6-15)5-9(10)14/h2-5,16H,1H3
InChIKeyHHIVEEZOPNZZFS-UHFFFAOYSA-N
XLogP3.52
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide 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

N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
CID 91651974
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
CID 171650317
5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide
CID 91651936
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide (CID 103099977) is 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2F)sc1Cl.
What is the InChIKey of 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is HHIVEEZOPNZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-8(6-15)5-9(10)14/h2-5,16H,1H3.
What are the key properties of 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 330.79 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).