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

C15H11Cl3N2O2S — CID 75447876

IUPAC1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide
SMILESN#Cc1cc(Cl)ccc1CS(=O)(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2S/c16-13-4-2-11(12(5-13)7-19)9-23(21,22)20-8-10-1-3-14(17)6-15(10)18/h1-6,20H,8-9H2
InChIKeySKCAWXFLPPPJPV-UHFFFAOYSA-N
MW389.69 g/mol
LogP4.14
Rot. Bonds5

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

1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide (PubChem CID 75447876) has the molecular formula C15H11Cl3N2O2S and a molecular weight of 389.69 g/mol. Its IUPAC name is 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide
PubChem CID75447876
Molecular FormulaC15H11Cl3N2O2S
Molecular Weight389.69 g/mol
Exact Mass387.96
IUPAC Name1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide
SMILESN#Cc1cc(Cl)ccc1CS(=O)(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2S/c16-13-4-2-11(12(5-13)7-19)9-23(21,22)20-8-10-1-3-14(17)6-15(10)18/h1-6,20H,8-9H2
InChIKeySKCAWXFLPPPJPV-UHFFFAOYSA-N
XLogP4.14
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.69
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 46770850
1-(2,4-dichlorophenyl)-N-(2-fluoroethyl)methanesulfonamide
CID 59623734
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 64920275
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide (CID 75447876) is 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide is N#Cc1cc(Cl)ccc1CS(=O)(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide?
The InChIKey is SKCAWXFLPPPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2S/c16-13-4-2-11(12(5-13)7-19)9-23(21,22)20-8-10-1-3-14(17)6-15(10)18/h1-6,20H,8-9H2.
What are the key properties of 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide?
1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide has a molecular weight of 389.69 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 75447876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).