N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide

C16H17Cl2NO2S — CID 3902997

IUPACN-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3
InChIKeyXOLCQMMWOGKPMY-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.58
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide

N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide (PubChem CID 3902997) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
PubChem CID3902997
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H17Cl2NO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3
InChIKeyXOLCQMMWOGKPMY-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 967625
N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 961743
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 967540
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132736547
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylphenyl)benzamide
CID 53282683
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 100503132
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132633841
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 125070255
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 3953027
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125045824

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide (CID 3902997) is N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide is Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
The InChIKey is XOLCQMMWOGKPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 3902997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).