1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide

C16H17Cl2NO2S — CID 38011114

IUPAC1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO2S/c1-12-3-5-13(6-4-12)10-19(2)22(20,21)11-14-7-8-15(17)9-16(14)18/h3-9H,10-11H2,1-2H3
InChIKeyMQUIXAAKPNHUIZ-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.26
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide

1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide (PubChem CID 38011114) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
PubChem CID38011114
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO2S/c1-12-3-5-13(6-4-12)10-19(2)22(20,21)11-14-7-8-15(17)9-16(14)18/h3-9H,10-11H2,1-2H3
InChIKeyMQUIXAAKPNHUIZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
N-[(2,4-dichlorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61383905
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 43132046
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132659728
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132666496
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide (CID 38011114) is 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide is Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide?
The InChIKey is MQUIXAAKPNHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-12-3-5-13(6-4-12)10-19(2)22(20,21)11-14-7-8-15(17)9-16(14)18/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide?
1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 38011114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).