4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

C16H15FN4O2S — CID 46972234

IUPAC4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)ccc1F
InChIInChI=1S/C16H15FN4O2S/c1-11-8-14(6-7-15(11)17)24(22,23)20-13-5-3-4-12(9-13)16-19-18-10-21(16)2/h3-10,20H,1-2H3
InChIKeyKBTFPSYBNVMVDH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.73
Rot. Bonds4

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

4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 46972234) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID46972234
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)ccc1F
InChIInChI=1S/C16H15FN4O2S/c1-11-8-14(6-7-15(11)17)24(22,23)20-13-5-3-4-12(9-13)16-19-18-10-21(16)2/h3-10,20H,1-2H3
InChIKeyKBTFPSYBNVMVDH-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
4-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 39341746
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 39341757
4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide
CID 46547591
(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide
CID 4255931
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16802745
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 46972234) is 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is KBTFPSYBNVMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-11-8-14(6-7-15(11)17)24(22,23)20-13-5-3-4-12(9-13)16-19-18-10-21(16)2/h3-10,20H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46972234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).