1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide

C15H18N2O2S — CID 107864041

IUPAC1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-7-3-2-4-8-13)17-20(18,19)11-14-9-5-6-10-15(14)16/h2-10,12,17H,11,16H2,1H3/t12-/m0/s1
InChIKeyZCRJSPGKKVNJQD-LBPRGKRZSA-N
MW290.39 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide

1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide (PubChem CID 107864041) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
PubChem CID107864041
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-7-3-2-4-8-13)17-20(18,19)11-14-9-5-6-10-15(14)16/h2-10,12,17H,11,16H2,1H3/t12-/m0/s1
InChIKeyZCRJSPGKKVNJQD-LBPRGKRZSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide (CID 107864041) is 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccccc1N)c1ccccc1.
What is the InChIKey of 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The InChIKey is ZCRJSPGKKVNJQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(13-7-3-2-4-8-13)17-20(18,19)11-14-9-5-6-10-15(14)16/h2-10,12,17H,11,16H2,1H3/t12-/m0/s1.
What are the key properties of 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 107864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).