N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide

C15H18N2O2S — CID 16794346

IUPACN-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCC(N)c1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-12(16)14-8-5-9-15(10-14)17-20(18,19)11-13-6-3-2-4-7-13/h2-10,12,17H,11,16H2,1H3
InChIKeyZCVMEJDGTMUHTH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.65
Rot. Bonds5

About N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide

N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 16794346) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID16794346
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCC(N)c1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-12(16)14-8-5-9-15(10-14)17-20(18,19)11-13-6-3-2-4-7-13/h2-10,12,17H,11,16H2,1H3
InChIKeyZCVMEJDGTMUHTH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
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1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947673
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
CID 71012469
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
1-(3-benzylphenyl)ethanamine
CID 69109207
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
CID 110778693
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide (CID 16794346) is N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide is CC(N)c1cccc(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is ZCVMEJDGTMUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(16)14-8-5-9-15(10-14)17-20(18,19)11-13-6-3-2-4-7-13/h2-10,12,17H,11,16H2,1H3.
What are the key properties of N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16794346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).