4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide

C16H17F2NO2S — CID 8500871

IUPAC4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H17F2NO2S/c1-3-11(2)12-7-9-13(10-8-12)22(20,21)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3/t11-/m0/s1
InChIKeyXDIRKOSAUQLMPR-NSHDSACASA-N
MW325.38 g/mol
LogP4.28
Rot. Bonds5

About 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide

4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 8500871) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID8500871
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H17F2NO2S/c1-3-11(2)12-7-9-13(10-8-12)22(20,21)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3/t11-/m0/s1
InChIKeyXDIRKOSAUQLMPR-NSHDSACASA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
CID 19683986
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide (CID 8500871) is 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide is CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is XDIRKOSAUQLMPR-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-3-11(2)12-7-9-13(10-8-12)22(20,21)19-16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide?
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 8500871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).