4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide

C17H21NO2S — CID 26012625

IUPAC4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14(3)15-8-10-17(11-9-15)21(19,20)18-16-7-5-6-13(2)12-16/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1
InChIKeyVZTVIMDAOGAXEP-AWEZNQCLSA-N
MW303.43 g/mol
LogP4.31
Rot. Bonds5

About 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide

4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 26012625) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID26012625
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14(3)15-8-10-17(11-9-15)21(19,20)18-16-7-5-6-13(2)12-16/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1
InChIKeyVZTVIMDAOGAXEP-AWEZNQCLSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.31
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
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide (CID 26012625) is 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide is CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is VZTVIMDAOGAXEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-14(3)15-8-10-17(11-9-15)21(19,20)18-16-7-5-6-13(2)12-16/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide?
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 4.31, 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-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26012625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).