3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide

C13H17FN2O4S — CID 103082469

IUPAC3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
SMILESCOC1CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(7-11)16-13(17)8-4-9(14)6-12(5-8)21(15,18)19/h4-6,10-11H,2-3,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeySCDTWQNNCUJYBT-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds4

About 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide

3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide (PubChem CID 103082469) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
PubChem CID103082469
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
SMILESCOC1CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(7-11)16-13(17)8-4-9(14)6-12(5-8)21(15,18)19/h4-6,10-11H,2-3,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeySCDTWQNNCUJYBT-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65387647
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 104581692
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide (CID 103082469) is 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide is COC1CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide?
The InChIKey is SCDTWQNNCUJYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-11-3-2-10(7-11)16-13(17)8-4-9(14)6-12(5-8)21(15,18)19/h4-6,10-11H,2-3,7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide?
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 103082469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).