4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H8ClFN2O2S3 — CID 8603551

IUPAC4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H8ClFN2O2S3/c14-8-3-4-12(9(15)6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17)
InChIKeyVPHOEZPSQQAUHY-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 8603551) has the molecular formula C13H8ClFN2O2S3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID8603551
Molecular FormulaC13H8ClFN2O2S3
Molecular Weight374.87 g/mol
Exact Mass373.94
IUPAC Name4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H8ClFN2O2S3/c14-8-3-4-12(9(15)6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17)
InChIKeyVPHOEZPSQQAUHY-UHFFFAOYSA-N
XLogP4.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide 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-(benzo[d]thiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 701782
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
2,5-dichloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1488444
4,5-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 10114364
3-Bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiophenesulfonamide
CID 10205410
4-Bromo-5-chloro-N-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-2-thiophenesulfonamide
CID 10299227
4-Bromo-N-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 11167349
4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1069057
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 2810749
4-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3333374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 8603551) is 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VPHOEZPSQQAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S3/c14-8-3-4-12(9(15)6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17).
What are the key properties of 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 8603551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).