1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide

C16H20N2O2S — CID 29034543

IUPAC1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h1-9,18H,10-13,17H2
InChIKeyDWGGIDLZTUOUEZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.81
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 29034543) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID29034543
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h1-9,18H,10-13,17H2
InChIKeyDWGGIDLZTUOUEZ-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-[2-(furan-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 90558389
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide (CID 29034543) is 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is DWGGIDLZTUOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h1-9,18H,10-13,17H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 29034543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).