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

C13H8F2N2O2S3 — CID 8603532

IUPAC3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)22(18,19)17-13-16-11(7-21-13)12-2-1-5-20-12/h1-7H,(H,16,17)
InChIKeyZNOKZJPDFQRTAM-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.95
Rot. Bonds4

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

3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 8603532) has the molecular formula C13H8F2N2O2S3 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID8603532
Molecular FormulaC13H8F2N2O2S3
Molecular Weight358.42 g/mol
Exact Mass357.97
IUPAC Name3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)22(18,19)17-13-16-11(7-21-13)12-2-1-5-20-12/h1-7H,(H,16,17)
InChIKeyZNOKZJPDFQRTAM-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', '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 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 8603532) is 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZNOKZJPDFQRTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)22(18,19)17-13-16-11(7-21-13)12-2-1-5-20-12/h1-7H,(H,16,17).
What are the key properties of 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 8603532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).