N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide

C21H21NO3S — CID 57267401

IUPACN-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-26(23,24)22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyZOTSSIFPIPEKFI-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.44
Rot. Bonds7

About N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide

N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide (PubChem CID 57267401) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
PubChem CID57267401
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-26(23,24)22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyZOTSSIFPIPEKFI-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid
CID 18376114
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-[3-[benzyl-[(4-phenoxyphenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
CID 18512392
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide (CID 57267401) is N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
The InChIKey is ZOTSSIFPIPEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-26(23,24)22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)25-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide?
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 57267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).