N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide

C9H11Cl2NO2S — CID 60681368

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C9H11Cl2NO2S/c1-12(15(2,13)14)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyAPQLNLBQPLTVQR-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.38
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide

N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 60681368) has the molecular formula C9H11Cl2NO2S and a molecular weight of 268.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
PubChem CID60681368
Molecular FormulaC9H11Cl2NO2S
Molecular Weight268.17 g/mol
Exact Mass266.99
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C9H11Cl2NO2S/c1-12(15(2,13)14)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKeyAPQLNLBQPLTVQR-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-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
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723953
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 61044122
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797510

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide (CID 60681368) is N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is APQLNLBQPLTVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2S/c1-12(15(2,13)14)6-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 268.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 60681368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).