N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide

C16H19NO2S — CID 40522121

IUPACN-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13(2)16(14-9-5-3-6-10-14)17-20(18,19)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t16-/m0/s1
InChIKeyXLDCWFQHDQBMRE-INIZCTEOSA-N
MW289.40 g/mol
LogP3.36
Rot. Bonds5

About N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide

N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide (PubChem CID 40522121) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
PubChem CID40522121
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13(2)16(14-9-5-3-6-10-14)17-20(18,19)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t16-/m0/s1
InChIKeyXLDCWFQHDQBMRE-INIZCTEOSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1R,2S)-2-deuterio-2-methyl-1-phenylbut-3-enyl]benzenesulfonamide
CID 11781627
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
CID 10788532
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide (CID 40522121) is N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide?
The InChIKey is XLDCWFQHDQBMRE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13(2)16(14-9-5-3-6-10-14)17-20(18,19)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide?
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 40522121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).