4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide

C14H20N2O4S — CID 65386263

IUPAC4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-2-10-3-4-11(9-13(10)21(15,18)19)14(17)16-12-5-7-20-8-6-12/h3-4,9,12H,2,5-8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyFLYPCURJQJGVOY-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.81
Rot. Bonds4

About 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide

4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide (PubChem CID 65386263) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
PubChem CID65386263
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-2-10-3-4-11(9-13(10)21(15,18)19)14(17)16-12-5-7-20-8-6-12/h3-4,9,12H,2,5-8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyFLYPCURJQJGVOY-UHFFFAOYSA-N
XLogP0.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
CID 65379984

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide (CID 65386263) is 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide is CCc1ccc(C(=O)NC2CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide?
The InChIKey is FLYPCURJQJGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-10-3-4-11(9-13(10)21(15,18)19)14(17)16-12-5-7-20-8-6-12/h3-4,9,12H,2,5-8H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide?
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65386263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).