4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

C14H22N2O3S — CID 63361233

IUPAC4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(17,18)16-13-4-3-9-19-11-13/h5-8,13,15-16H,2-4,9-11H2,1H3
InChIKeyDWENBGBFSULSFK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.25
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide

4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 63361233) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
PubChem CID63361233
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(17,18)16-13-4-3-9-19-11-13/h5-8,13,15-16H,2-4,9-11H2,1H3
InChIKeyDWENBGBFSULSFK-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 63361664
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
4-(3-aminopropoxy)-N-(oxan-3-yl)benzenesulfonamide
CID 106065190
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide (CID 63361233) is 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCCOC2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is DWENBGBFSULSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-15-10-12-5-7-14(8-6-12)20(17,18)16-13-4-3-9-19-11-13/h5-8,13,15-16H,2-4,9-11H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63361233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).