4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C17H20FNO2S — CID 22774481

IUPAC4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-15-8-5-13(3)17(18)11-15/h5-12,19H,4H2,1-3H3
InChIKeyFVFAUVYDSBIFOX-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.45
Rot. Bonds5

About 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 22774481) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID22774481
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-15-8-5-13(3)17(18)11-15/h5-12,19H,4H2,1-3H3
InChIKeyFVFAUVYDSBIFOX-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 22774481) is 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is FVFAUVYDSBIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-15-8-5-13(3)17(18)11-15/h5-12,19H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 22774481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).