1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide

C21H21NO2S — CID 25036786

IUPAC1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-17(22-25(23,24)16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3
InChIKeyICIDXXNEINOBPB-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.53
Rot. Bonds6

About 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide

1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide (PubChem CID 25036786) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
PubChem CID25036786
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-17(22-25(23,24)16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3
InChIKeyICIDXXNEINOBPB-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
CID 142953388

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide (CID 25036786) is 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide?
The InChIKey is ICIDXXNEINOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-17(22-25(23,24)16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3.
What are the key properties of 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide?
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 25036786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).