N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide

C22H24N2O2S — CID 23604896

IUPACN-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-24(18-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23-27(25,26)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3
InChIKeyMPZOKSLNMBTHTM-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.84
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide

N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (PubChem CID 23604896) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
PubChem CID23604896
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-24(18-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23-27(25,26)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3
InChIKeyMPZOKSLNMBTHTM-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (CID 23604896) is N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is CN(Cc1ccccc1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The InChIKey is MPZOKSLNMBTHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-24(18-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23-27(25,26)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3.
What are the key properties of N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).