N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide

C15H14Cl3NO2S — CID 56512990

IUPACN-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3NO2S/c1-19(9-11-2-5-13(16)6-3-11)22(20,21)10-12-4-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3
InChIKeyBCXNZGAHYAXYIK-UHFFFAOYSA-N
MW378.71 g/mol
LogP4.61
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide

N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide (PubChem CID 56512990) has the molecular formula C15H14Cl3NO2S and a molecular weight of 378.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
PubChem CID56512990
Molecular FormulaC15H14Cl3NO2S
Molecular Weight378.71 g/mol
Exact Mass376.98
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3NO2S/c1-19(9-11-2-5-13(16)6-3-11)22(20,21)10-12-4-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3
InChIKeyBCXNZGAHYAXYIK-UHFFFAOYSA-N
XLogP4.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 38011114
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 56582136
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
CID 75389814
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110724661
1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide (CID 56512990) is N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide is CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is BCXNZGAHYAXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S/c1-19(9-11-2-5-13(16)6-3-11)22(20,21)10-12-4-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide?
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 378.71 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 56512990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).