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

C13H17FN2O4S — CID 61217199

IUPAC4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCCOC2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c14-11-4-3-10(6-12(11)21(15,18)19)13(17)16-7-9-2-1-5-20-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyKUFYTTCQEUPSQV-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.63
Rot. Bonds4

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

4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide (PubChem CID 61217199) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
PubChem CID61217199
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCCOC2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c14-11-4-3-10(6-12(11)21(15,18)19)13(17)16-7-9-2-1-5-20-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyKUFYTTCQEUPSQV-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023
4-(3,4-difluoro-5-hydroxyphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126429664
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 115590000
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide (CID 61217199) is 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2CCCOC2)ccc1F.
What is the InChIKey of 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide?
The InChIKey is KUFYTTCQEUPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-11-4-3-10(6-12(11)21(15,18)19)13(17)16-7-9-2-1-5-20-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide?
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.63, 4 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-ylmethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 61217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).