N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide

C17H21NO4S2 — CID 167898852

IUPACN-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CS(=O)(=O)CCc2ccccc2C)cc1
InChIInChI=1S/C17H21NO4S2/c1-14-5-3-4-6-16(14)11-12-23(19,20)13-15-7-9-17(10-8-15)24(21,22)18-2/h3-10,18H,11-13H2,1-2H3
InChIKeyMWSKEKGHOQEYIU-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.06
Rot. Bonds7

About N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide

N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide (PubChem CID 167898852) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide
PubChem CID167898852
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC NameN-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CS(=O)(=O)CCc2ccccc2C)cc1
InChIInChI=1S/C17H21NO4S2/c1-14-5-3-4-6-16(14)11-12-23(19,20)13-15-7-9-17(10-8-15)24(21,22)18-2/h3-10,18H,11-13H2,1-2H3
InChIKeyMWSKEKGHOQEYIU-UHFFFAOYSA-N
XLogP2.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
4-[(2-methylphenyl)methyl]benzenesulfonamide
CID 139623698
N-methyl-4-phenacylbenzenesulfonamide
CID 63199150
2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
CID 167899104
4-[(2-methylphenyl)methylsulfonylmethyl]benzenecarbothioamide
CID 94804904
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052632
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
ethane;methane;N-methylbenzenesulfonamide
CID 159487495

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide (CID 167898852) is N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CS(=O)(=O)CCc2ccccc2C)cc1.
What is the InChIKey of N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide?
The InChIKey is MWSKEKGHOQEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-14-5-3-4-6-16(14)11-12-23(19,20)13-15-7-9-17(10-8-15)24(21,22)18-2/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide?
N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide has a molecular weight of 367.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide is sourced from PubChem (CID 167898852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).