2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide

C15H15Cl2NO4S2 — CID 25041194

IUPAC2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(C)(=O)=O)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO4S2/c1-10-7-15(14(17)8-13(10)16)24(21,22)18-9-11-3-5-12(6-4-11)23(2,19)20/h3-8,18H,9H2,1-2H3
InChIKeyUGEZFFYSCZBKEH-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.18
Rot. Bonds5

About 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide (PubChem CID 25041194) has the molecular formula C15H15Cl2NO4S2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
PubChem CID25041194
Molecular FormulaC15H15Cl2NO4S2
Molecular Weight408.33 g/mol
Exact Mass406.98
IUPAC Name2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(C)(=O)=O)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO4S2/c1-10-7-15(14(17)8-13(10)16)24(21,22)18-9-11-3-5-12(6-4-11)23(2,19)20/h3-8,18H,9H2,1-2H3
InChIKeyUGEZFFYSCZBKEH-UHFFFAOYSA-N
XLogP3.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
CID 3731125
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630155
N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 73265462
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 48563474
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
N-but-3-ynyl-2,4-dichloro-5-methylbenzenesulfonamide
CID 56765741

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide (CID 25041194) is 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(S(C)(=O)=O)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide?
The InChIKey is UGEZFFYSCZBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4S2/c1-10-7-15(14(17)8-13(10)16)24(21,22)18-9-11-3-5-12(6-4-11)23(2,19)20/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide has a molecular weight of 408.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 25041194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).