2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C16H12F2N2O2S2 — CID 11485390

IUPAC2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2F)s1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-9-19-16(23-10)20-24(21,22)15-7-4-12(8-14(15)18)11-2-5-13(17)6-3-11/h2-9H,1H3,(H,19,20)
InChIKeyIANPKVUPEAGHEG-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.20
Rot. Bonds4

About 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 11485390) has the molecular formula C16H12F2N2O2S2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID11485390
Molecular FormulaC16H12F2N2O2S2
Molecular Weight366.41 g/mol
Exact Mass366.03
IUPAC Name2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2F)s1
InChIInChI=1S/C16H12F2N2O2S2/c1-10-9-19-16(23-10)20-24(21,22)15-7-4-12(8-14(15)18)11-2-5-13(17)6-3-11/h2-9H,1H3,(H,19,20)
InChIKeyIANPKVUPEAGHEG-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

2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 43325334
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 67225169
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 25038248

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 11485390) is 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2F)s1.
What is the InChIKey of 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IANPKVUPEAGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S2/c1-10-9-19-16(23-10)20-24(21,22)15-7-4-12(8-14(15)18)11-2-5-13(17)6-3-11/h2-9H,1H3,(H,19,20).
What are the key properties of 2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)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-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 11485390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).