N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide

C15H18N2O2S — CID 67218094

IUPACN-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)17(15-9-5-8-14(16)12-15)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3
InChIKeyLIFVAZVGCHIFGH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.28
Rot. Bonds5

About N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide

N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide (PubChem CID 67218094) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide
PubChem CID67218094
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)17(15-9-5-8-14(16)12-15)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3
InChIKeyLIFVAZVGCHIFGH-UHFFFAOYSA-N
XLogP2.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(2-phenylethyl)methanesulfonamide
CID 60602422
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide
CID 65483125
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
CID 55174195
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
4-(3-chloro-N-methylsulfonylanilino)-N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100725949
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide (CID 67218094) is N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide is CS(=O)(=O)N(CCc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is LIFVAZVGCHIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20(18,19)17(15-9-5-8-14(16)12-15)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide?
N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 67218094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).