N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide

C15H15Cl2NO2S — CID 55531353

IUPACN-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-18(10-12-5-3-2-4-6-12)21(19,20)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11H2,1H3
InChIKeyKOVMCMCCMMEZKA-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide

N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide (PubChem CID 55531353) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
PubChem CID55531353
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-18(10-12-5-3-2-4-6-12)21(19,20)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11H2,1H3
InChIKeyKOVMCMCCMMEZKA-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
1-(3,4-dichlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]methanesulfonamide
CID 56582174
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 56582136
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813
1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
CID 75389814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide (CID 55531353) is N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is KOVMCMCCMMEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-18(10-12-5-3-2-4-6-12)21(19,20)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 55531353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).