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

C23H26N2O2S — CID 18512117

IUPACN-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1C
InChIInChI=1S/C23H26N2O2S/c1-3-28(26,27)24-22-15-10-16-23(19(22)2)25(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,24H,3,17-18H2,1-2H3
InChIKeyBWDOSZCEEIQXJI-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.96
Rot. Bonds8

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

N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide (PubChem CID 18512117) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
PubChem CID18512117
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1C
InChIInChI=1S/C23H26N2O2S/c1-3-28(26,27)24-22-15-10-16-23(19(22)2)25(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,24H,3,17-18H2,1-2H3
InChIKeyBWDOSZCEEIQXJI-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.96
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]ethanesulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide (CID 18512117) is N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1C.
What is the InChIKey of N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide?
The InChIKey is BWDOSZCEEIQXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-3-28(26,27)24-22-15-10-16-23(19(22)2)25(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,24H,3,17-18H2,1-2H3.
What are the key properties of N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide?
N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.96, 8 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]ethanesulfonamide is sourced from PubChem (CID 18512117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).