2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide

C15H17NO4S2 — CID 851381

IUPAC2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C15H17NO4S2/c1-11-6-4-5-7-14(11)16-22(19,20)15-10-13(21(3,17)18)9-8-12(15)2/h4-10,16H,1-3H3
InChIKeyWKGHTAZNDBFJON-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide

2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 851381) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide
PubChem CID851381
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C15H17NO4S2/c1-11-6-4-5-7-14(11)16-22(19,20)15-10-13(21(3,17)18)9-8-12(15)2/h4-10,16H,1-3H3
InChIKeyWKGHTAZNDBFJON-UHFFFAOYSA-N
XLogP2.51
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
Benzenesulfono-o-toluidide
CID 87657
N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 1817526
4-((4-Methylphenyl)sulfonyl)aniline
CID 363136
4-Methyl-N-(3-methylphenyl)benzenesulfonamide
CID 201604
N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 836920
4-ethyl-N-{4-methyl-3-[(methylsulfonyl)amino]phenyl}benzenesulfonamide
CID 2811614
2,4-dimethyl-N-(2-methylphenyl)-3-[(methylsulfonyl)amino]benzenesulfonamide
CID 2972740
2-Mesitylenesulfonanilide
CID 223608
Benzenesulfonamide, N-[4-(aminosulfonyl)phenyl]-4-methyl-
CID 774518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide (CID 851381) is 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is WKGHTAZNDBFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-11-6-4-5-7-14(11)16-22(19,20)15-10-13(21(3,17)18)9-8-12(15)2/h4-10,16H,1-3H3.
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide?
2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 851381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).