N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H15NO4S2 — CID 78925058

IUPACN-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO4S2/c1-11(8-9-16(2,12)13)17(14,15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyIJKZIJUIAAWDRZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.35
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 78925058) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID78925058
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO4S2/c1-11(8-9-16(2,12)13)17(14,15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyIJKZIJUIAAWDRZ-UHFFFAOYSA-N
XLogP0.35
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79858438
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
2-[methyl(2-methylsulfonylethyl)sulfamoyl]benzenecarbothioamide
CID 79858546
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 78925058) is N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is IJKZIJUIAAWDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-11(8-9-16(2,12)13)17(14,15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 78925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).