N-cyclopropyl-3-ethylbenzenesulfonamide

C11H15NO2S — CID 70914015

IUPACN-cyclopropyl-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15NO2S/c1-2-9-4-3-5-11(8-9)15(13,14)12-10-6-7-10/h3-5,8,10,12H,2,6-7H2,1H3
InChIKeyLMKPRQPFIUMIRK-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopropyl-3-ethylbenzenesulfonamide

N-cyclopropyl-3-ethylbenzenesulfonamide (PubChem CID 70914015) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-cyclopropyl-3-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethylbenzenesulfonamide
PubChem CID70914015
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-cyclopropyl-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15NO2S/c1-2-9-4-3-5-11(8-9)15(13,14)12-10-6-7-10/h3-5,8,10,12H,2,6-7H2,1H3
InChIKeyLMKPRQPFIUMIRK-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
CID 128586564
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 43025432
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
CID 120664523
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-ethylbenzenesulfonamide (CID 70914015) is N-cyclopropyl-3-ethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-ethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-ethylbenzenesulfonamide?
The InChIKey is LMKPRQPFIUMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-9-4-3-5-11(8-9)15(13,14)12-10-6-7-10/h3-5,8,10,12H,2,6-7H2,1H3.
What are the key properties of N-cyclopropyl-3-ethylbenzenesulfonamide?
N-cyclopropyl-3-ethylbenzenesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethylbenzenesulfonamide is sourced from PubChem (CID 70914015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).