N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide

C22H24N2O2S — CID 18512166

IUPACN-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-18-21(23-27(2,25)26)14-9-15-22(18)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,23H,16-17H2,1-2H3
InChIKeyWGGMBWMYJSVPSG-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.57
Rot. Bonds7

About N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide

N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide (PubChem CID 18512166) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide
PubChem CID18512166
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-18-21(23-27(2,25)26)14-9-15-22(18)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,23H,16-17H2,1-2H3
InChIKeyWGGMBWMYJSVPSG-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide (CID 18512166) is N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide is Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide?
The InChIKey is WGGMBWMYJSVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-18-21(23-27(2,25)26)14-9-15-22(18)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,23H,16-17H2,1-2H3.
What are the key properties of N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide?
N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18512166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).