N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide

C11H17NO4S2 — CID 103721105

IUPACN-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO4S2/c1-3-17(13,14)9-8-12-18(15,16)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyQRELSQQPSFLAAG-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.71
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide

N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide (PubChem CID 103721105) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
PubChem CID103721105
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H17NO4S2/c1-3-17(13,14)9-8-12-18(15,16)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyQRELSQQPSFLAAG-UHFFFAOYSA-N
XLogP0.71
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
2-methyl-N-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)benzenesulfonamide
CID 135309655

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide (CID 103721105) is N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide is CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide?
The InChIKey is QRELSQQPSFLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-3-17(13,14)9-8-12-18(15,16)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide?
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide has a molecular weight of 291.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103721105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).