N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide

C15H15Cl2NO2S — CID 19680727

IUPACN-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C15H15Cl2NO2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-9-12-4-5-13(16)8-15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyFHRZDLJFNSLBLA-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.09
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 19680727) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID19680727
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C15H15Cl2NO2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-9-12-4-5-13(16)8-15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyFHRZDLJFNSLBLA-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
4-[(tert-butylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 59768464
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
CID 4665186
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107091563
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide (CID 19680727) is N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is FHRZDLJFNSLBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-9-12-4-5-13(16)8-15(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19680727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).