N-[3-(1-phenylethylamino)phenyl]methanesulfonamide

C15H18N2O2S — CID 43208081

IUPACN-[3-(1-phenylethylamino)phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-7-4-3-5-8-13)16-14-9-6-10-15(11-14)17-20(2,18)19/h3-12,16-17H,1-2H3
InChIKeyHHOQXTZAHMTKMG-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(1-phenylethylamino)phenyl]methanesulfonamide

N-[3-(1-phenylethylamino)phenyl]methanesulfonamide (PubChem CID 43208081) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(1-phenylethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-phenylethylamino)phenyl]methanesulfonamide
PubChem CID43208081
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[3-(1-phenylethylamino)phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-7-4-3-5-8-13)16-14-9-6-10-15(11-14)17-20(2,18)19/h3-12,16-17H,1-2H3
InChIKeyHHOQXTZAHMTKMG-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1-phenylethylamino)phenyl]methanesulfonamide (CID 43208081) is N-[3-(1-phenylethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-phenylethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-phenylethylamino)phenyl]methanesulfonamide is CC(Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylethylamino)phenyl]methanesulfonamide?
The InChIKey is HHOQXTZAHMTKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(13-7-4-3-5-8-13)16-14-9-6-10-15(11-14)17-20(2,18)19/h3-12,16-17H,1-2H3.
What are the key properties of N-[3-(1-phenylethylamino)phenyl]methanesulfonamide?
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43208081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).