N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide

C15H17NO2S — CID 47104337

IUPACN-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-4-6-14(10-11)19(17,18)16-15-8-7-12(2)9-13(15)3/h4-10,16H,1-3H3
InChIKeyKJCHHJBLWHPGAZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.41
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide

N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide (PubChem CID 47104337) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
PubChem CID47104337
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-4-6-14(10-11)19(17,18)16-15-8-7-12(2)9-13(15)3/h4-10,16H,1-3H3
InChIKeyKJCHHJBLWHPGAZ-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide (CID 47104337) is N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is KJCHHJBLWHPGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-4-6-14(10-11)19(17,18)16-15-8-7-12(2)9-13(15)3/h4-10,16H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide?
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47104337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).