1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide

C14H13Cl2NO2S — CID 134052267

IUPAC1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO2S/c1-10-2-5-12(6-3-10)17-20(18,19)9-11-4-7-13(15)14(16)8-11/h2-8,17H,9H2,1H3
InChIKeyMFLYVPQZYYGZQP-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.24
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide (PubChem CID 134052267) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
PubChem CID134052267
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO2S/c1-10-2-5-12(6-3-10)17-20(18,19)9-11-4-7-13(15)14(16)8-11/h2-8,17H,9H2,1H3
InChIKeyMFLYVPQZYYGZQP-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4''-chloro-4-biphenylyl)methanesulfonamide
CID 11254540
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
5-chloro-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 49798457
N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 669258
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42646009
2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646010
2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42646011
4-Chloro-2-[2-(3,4-dichlorophenyl)ethylsulfonylamino]benzenesulfonamide
CID 57750945
2-[2-(3,4-Dichlorophenyl)ethylsulfonylamino]-4,6-difluorobenzenesulfonamide
CID 57751095
n-(3,4-Dichlorophenyl)-4-methylbenzenesulfonamide
CID 234742
4-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 722853

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide (CID 134052267) is 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is MFLYVPQZYYGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-10-2-5-12(6-3-10)17-20(18,19)9-11-4-7-13(15)14(16)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide?
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 4.24, 4 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)methanesulfonamide is sourced from PubChem (CID 134052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).