1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide

C16H20N2O2S — CID 63010726

IUPAC1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C16H20N2O2S/c1-13(11-14-7-3-2-4-8-14)18-21(19,20)12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12,17H2,1H3
InChIKeyOYCKMOCGZBGATK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.32
Rot. Bonds6

About 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide

1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide (PubChem CID 63010726) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
PubChem CID63010726
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C16H20N2O2S/c1-13(11-14-7-3-2-4-8-14)18-21(19,20)12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12,17H2,1H3
InChIKeyOYCKMOCGZBGATK-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.32
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-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
N-(1-amino-2-phenylethyl)ethanesulfonamide
CID 69257411

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide (CID 63010726) is 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The InChIKey is OYCKMOCGZBGATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(11-14-7-3-2-4-8-14)18-21(19,20)12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12,17H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 63010726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).