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

C16H12F2N2O2S2 — CID 90626141

IUPAC3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-19-16(9-23-10)12-4-2-3-5-15(12)20-24(21,22)11-6-7-13(17)14(18)8-11/h2-9,20H,1H3
InChIKeyYWVCANOGAQXCII-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.20
Rot. Bonds4

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

3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 90626141) has the molecular formula C16H12F2N2O2S2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID90626141
Molecular FormulaC16H12F2N2O2S2
Molecular Weight366.41 g/mol
Exact Mass366.03
IUPAC Name3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-19-16(9-23-10)12-4-2-3-5-15(12)20-24(21,22)11-6-7-13(17)14(18)8-11/h2-9,20H,1H3
InChIKeyYWVCANOGAQXCII-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

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
4-fluoro-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121149546
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 90626948
3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719345
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
CID 15865923
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-nitrobenzenesulfonamide
CID 90626956
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90626953
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121149565

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 90626141) is 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is YWVCANOGAQXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S2/c1-10-19-16(9-23-10)12-4-2-3-5-15(12)20-24(21,22)11-6-7-13(17)14(18)8-11/h2-9,20H,1H3.
What are the key properties of 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3,4-difluoro-N-[2-(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 3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90626141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).