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

C12H15FN2O4S — CID 63613936

IUPAC4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1F
InChIInChI=1S/C12H15FN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18)
InChIKeyQAEWVAGABGNVME-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.38
Rot. Bonds3

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

4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide (PubChem CID 63613936) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
PubChem CID63613936
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1F
InChIInChI=1S/C12H15FN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18)
InChIKeyQAEWVAGABGNVME-UHFFFAOYSA-N
XLogP0.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide (CID 63613936) is 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCOC2)ccc1F.
What is the InChIKey of 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is QAEWVAGABGNVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c13-10-4-3-8(6-11(10)20(14,17)18)12(16)15-9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide?
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63613936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).