N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

C22H23ClN2O2S — CID 18512087

IUPACN-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)13-8-14-22(17)25(15-18-9-4-3-5-10-18)16-19-11-6-7-12-20(19)23/h3-14,24H,15-16H2,1-2H3
InChIKeyHGUAVYAPBJPMFL-UHFFFAOYSA-N
MW414.96 g/mol
LogP5.23
Rot. Bonds7

About N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 18512087) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID18512087
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC NameN-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)13-8-14-22(17)25(15-18-9-4-3-5-10-18)16-19-11-6-7-12-20(19)23/h3-14,24H,15-16H2,1-2H3
InChIKeyHGUAVYAPBJPMFL-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{3-[Benzyl-(4-trifluoromethyl-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18511908
N-{3-[benzyl(2-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18511977
N-{3-[Benzyl-(2-methyl-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18511994
N-{3-[Benzyl-(4-methyl-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512002
N-{3-[benzyl(4-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512022
N-[3-(dibenzylamino)-2-methylphenyl]-2-propanesulfonamide
CID 18512032
N-{3-[Benzyl-(4-chloro-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512058
N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
CID 18512117
N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
CID 18512161
N-(3-Dibenzylamino-2-methyl-phenyl)-methanesulfonamide
CID 18512166
N-{3-[benzyl(2,4-difluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512170
N-(3-(benzyl-(4-chloro-2-fluoro-benzyl)-amino)-2-methyl-phenyl)-methanesulfonamide
CID 18512334

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (CID 18512087) is N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is HGUAVYAPBJPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)13-8-14-22(17)25(15-18-9-4-3-5-10-18)16-19-11-6-7-12-20(19)23/h3-14,24H,15-16H2,1-2H3.
What are the key properties of N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 414.96 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[(2-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18512087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).