N-benzyl-N-methyl-1-phenylmethanesulfonamide

C15H17NO2S — CID 669285

IUPACN-benzyl-N-methyl-1-phenylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c1-16(12-14-8-4-2-5-9-14)19(17,18)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyNAHIRGWLMBQSCJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-N-methyl-1-phenylmethanesulfonamide

N-benzyl-N-methyl-1-phenylmethanesulfonamide (PubChem CID 669285) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-phenylmethanesulfonamide
PubChem CID669285
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-benzyl-N-methyl-1-phenylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c1-16(12-14-8-4-2-5-9-14)19(17,18)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyNAHIRGWLMBQSCJ-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
2-Phenyl-1-phenylsulfonylaziridine
CID 576325
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
N,N-dibenzylsulfamide
CID 13801611
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 71720085
N-benzyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 779504
1-(Benzylsulfonyl)azepane
CID 669274
2-(Benzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 669275

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-benzyl-N-methyl-1-phenylmethanesulfonamide (CID 669285) is N-benzyl-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-1-phenylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is NAHIRGWLMBQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16(12-14-8-4-2-5-9-14)19(17,18)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-phenylmethanesulfonamide?
N-benzyl-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 669285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).