2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C16H12F2N2O2S2 — CID 9240048

IUPAC2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)cs1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-19-15(9-23-10)11-3-2-4-13(7-11)20-24(21,22)16-8-12(17)5-6-14(16)18/h2-9,20H,1H3
InChIKeySSKJUKCLXCBBOE-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.20
Rot. Bonds4

About 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 9240048) has the molecular formula C16H12F2N2O2S2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID9240048
Molecular FormulaC16H12F2N2O2S2
Molecular Weight366.41 g/mol
Exact Mass366.03
IUPAC Name2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)cs1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-19-15(9-23-10)11-3-2-4-13(7-11)20-24(21,22)16-8-12(17)5-6-14(16)18/h2-9,20H,1H3
InChIKeySSKJUKCLXCBBOE-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8002269
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
CID 16824987

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 9240048) is 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)cs1.
What is the InChIKey of 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is SSKJUKCLXCBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S2/c1-10-19-15(9-23-10)11-3-2-4-13(7-11)20-24(21,22)16-8-12(17)5-6-14(16)18/h2-9,20H,1H3.
What are the key properties of 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 9240048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).