2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide

C9H5F3N2O2S2 — CID 175775889

IUPAC2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(F)s1)c1cc(F)ccc1F
InChIInChI=1S/C9H5F3N2O2S2/c10-5-1-2-6(11)7(3-5)18(15,16)14-9-13-4-8(12)17-9/h1-4H,(H,13,14)
InChIKeyFRANXRFOEQMIJE-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.36
Rot. Bonds3

About 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide

2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 175775889) has the molecular formula C9H5F3N2O2S2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID175775889
Molecular FormulaC9H5F3N2O2S2
Molecular Weight294.28 g/mol
Exact Mass293.97
IUPAC Name2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(F)s1)c1cc(F)ccc1F
InChIInChI=1S/C9H5F3N2O2S2/c10-5-1-2-6(11)7(3-5)18(15,16)14-9-13-4-8(12)17-9/h1-4H,(H,13,14)
InChIKeyFRANXRFOEQMIJE-UHFFFAOYSA-N
XLogP2.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 112812067
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 87198601
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 129136261
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 60814249
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide (CID 175775889) is 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1ncc(F)s1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FRANXRFOEQMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2S2/c10-5-1-2-6(11)7(3-5)18(15,16)14-9-13-4-8(12)17-9/h1-4H,(H,13,14).
What are the key properties of 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 294.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 175775889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).