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

C14H19FN4O2S — CID 129417000

IUPAC4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)ccc1F
InChIInChI=1S/C14H19FN4O2S/c1-10(2)14(9-19-16-6-7-17-19)18-22(20,21)12-4-5-13(15)11(3)8-12/h4-8,10,14,18H,9H2,1-3H3/t14-/m0/s1
InChIKeyKFMSCFWBPHJUJX-AWEZNQCLSA-N
MW326.40 g/mol
LogP1.73
Rot. Bonds6

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

4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 129417000) has the molecular formula C14H19FN4O2S and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID129417000
Molecular FormulaC14H19FN4O2S
Molecular Weight326.40 g/mol
Exact Mass326.12
IUPAC Name4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)ccc1F
InChIInChI=1S/C14H19FN4O2S/c1-10(2)14(9-19-16-6-7-17-19)18-22(20,21)12-4-5-13(15)11(3)8-12/h4-8,10,14,18H,9H2,1-3H3/t14-/m0/s1
InChIKeyKFMSCFWBPHJUJX-AWEZNQCLSA-N
XLogP1.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177007
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
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
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 91842029

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide (CID 129417000) is 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is KFMSCFWBPHJUJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN4O2S/c1-10(2)14(9-19-16-6-7-17-19)18-22(20,21)12-4-5-13(15)11(3)8-12/h4-8,10,14,18H,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.73, 6 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-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 129417000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).