N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

C13H19NO2S — CID 115690445

IUPACN-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C13H19NO2S/c1-11-5-2-3-8-13(11)17(15,16)14-10-9-12-6-4-7-12/h2-3,5,8,12,14H,4,6-7,9-10H2,1H3
InChIKeyXTKKCHNJDSLXMV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.46
Rot. Bonds5

About N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (PubChem CID 115690445) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
PubChem CID115690445
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C13H19NO2S/c1-11-5-2-3-8-13(11)17(15,16)14-10-9-12-6-4-7-12/h2-3,5,8,12,14H,4,6-7,9-10H2,1H3
InChIKeyXTKKCHNJDSLXMV-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
CID 95190119
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
CID 114264330
3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
CID 47108856
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
4-(2-cyclopentylethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997804
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (CID 115690445) is N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The InChIKey is XTKKCHNJDSLXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-5-2-3-8-13(11)17(15,16)14-10-9-12-6-4-7-12/h2-3,5,8,12,14H,4,6-7,9-10H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 115690445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).