1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide

C21H19Cl2NO2S — CID 43915985

IUPAC1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C21H19Cl2NO2S/c1-15-7-10-18(11-8-15)21(17-5-3-2-4-6-17)24-27(25,26)14-16-9-12-19(22)20(23)13-16/h2-13,21,24H,14H2,1H3
InChIKeyHKHFDGCMYFDVIO-UHFFFAOYSA-N
MW420.36 g/mol
LogP5.51
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide (PubChem CID 43915985) has the molecular formula C21H19Cl2NO2S and a molecular weight of 420.36 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
PubChem CID43915985
Molecular FormulaC21H19Cl2NO2S
Molecular Weight420.36 g/mol
Exact Mass419.05
IUPAC Name1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C21H19Cl2NO2S/c1-15-7-10-18(11-8-15)21(17-5-3-2-4-6-17)24-27(25,26)14-16-9-12-19(22)20(23)13-16/h2-13,21,24H,14H2,1H3
InChIKeyHKHFDGCMYFDVIO-UHFFFAOYSA-N
XLogP5.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(4-methylphenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]methanesulfonamide
CID 28573215
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 97014874
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide (CID 43915985) is 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide is Cc1ccc(C(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide?
The InChIKey is HKHFDGCMYFDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2S/c1-15-7-10-18(11-8-15)21(17-5-3-2-4-6-17)24-27(25,26)14-16-9-12-19(22)20(23)13-16/h2-13,21,24H,14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide has a molecular weight of 420.36 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide is sourced from PubChem (CID 43915985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).