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

C13H7F3N2O2S3 — CID 8603545

IUPAC2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F3N2O2S3/c14-7-3-4-10(12(16)11(7)15)23(19,20)18-13-17-8(6-22-13)9-2-1-5-21-9/h1-6H,(H,17,18)
InChIKeyXQEJLHCZCNSTAL-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.09
Rot. Bonds4

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

2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 8603545) has the molecular formula C13H7F3N2O2S3 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID8603545
Molecular FormulaC13H7F3N2O2S3
Molecular Weight376.41 g/mol
Exact Mass375.96
IUPAC Name2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F3N2O2S3/c14-7-3-4-10(12(16)11(7)15)23(19,20)18-13-17-8(6-22-13)9-2-1-5-21-9/h1-6H,(H,17,18)
InChIKeyXQEJLHCZCNSTAL-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-Thienyl)-1,3-thiazol-2-amine
CID 243973
4-(5-Methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 2063929
N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4851019
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
N-[5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 57392815
2,5-dichloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1488444
N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamide
CID 1548308
N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 6465603
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
4-Bromo-N-[4-(3-chloro-2-thienyl)-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 11167349
4-(5-Ethylthiophen-2-yl)-1,3-thiazol-2-amine
CID 842105
N-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 686059

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 8603545) is 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XQEJLHCZCNSTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2S3/c14-7-3-4-10(12(16)11(7)15)23(19,20)18-13-17-8(6-22-13)9-2-1-5-21-9/h1-6H,(H,17,18).
What are the key properties of 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 8603545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).