4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide

C19H21FN4O2S — CID 121177007

IUPAC4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O2S/c1-14(2)19(13-24-21-11-12-22-24)23-27(25,26)18-9-5-16(6-10-18)15-3-7-17(20)8-4-15/h3-12,14,19,23H,13H2,1-2H3
InChIKeyFMYIUHJCWLPNJG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.09
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide

4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 121177007) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID121177007
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O2S/c1-14(2)19(13-24-21-11-12-22-24)23-27(25,26)18-9-5-16(6-10-18)15-3-7-17(20)8-4-15/h3-12,14,19,23H,13H2,1-2H3
InChIKeyFMYIUHJCWLPNJG-UHFFFAOYSA-N
XLogP3.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177004
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
N-(1-bromo-4-methylpentan-3-yl)-4-fluorobenzenesulfonamide
CID 106356294
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208904
1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide
CID 121177022
N-[(3R)-1-hydroxy-4-methylpentan-3-yl]-4-methylbenzenesulfonamide
CID 97070553

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (CID 121177007) is 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is CC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is FMYIUHJCWLPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-14(2)19(13-24-21-11-12-22-24)23-27(25,26)18-9-5-16(6-10-18)15-3-7-17(20)8-4-15/h3-12,14,19,23H,13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121177007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).