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

C13H18N2O4S — CID 80715253

IUPAC4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-2-9-3-4-10(7-12(9)20(14,17)18)13(16)15-11-5-6-19-8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCDVOOSBDRLSZHO-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.42
Rot. Bonds4

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

4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide (PubChem CID 80715253) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
PubChem CID80715253
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-2-9-3-4-10(7-12(9)20(14,17)18)13(16)15-11-5-6-19-8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCDVOOSBDRLSZHO-UHFFFAOYSA-N
XLogP0.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide (CID 80715253) is 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide is CCc1ccc(C(=O)NC2CCOC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is CDVOOSBDRLSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-9-3-4-10(7-12(9)20(14,17)18)13(16)15-11-5-6-19-8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 80715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).