4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

C17H20FNO2S — CID 8501128

IUPAC4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-17-11-15(18)8-5-13(17)3/h5-12,19H,4H2,1-3H3/t12-/m0/s1
InChIKeyXSAPSEXBSUJUKD-LBPRGKRZSA-N
MW321.42 g/mol
LogP4.45
Rot. Bonds5

About 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 8501128) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID8501128
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-17-11-15(18)8-5-13(17)3/h5-12,19H,4H2,1-3H3/t12-/m0/s1
InChIKeyXSAPSEXBSUJUKD-LBPRGKRZSA-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-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
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
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (CID 8501128) is 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is XSAPSEXBSUJUKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-4-12(2)14-6-9-16(10-7-14)22(20,21)19-17-11-15(18)8-5-13(17)3/h5-12,19H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-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-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 8501128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).