2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide

C13H17FN2O4S — CID 62088634

IUPAC2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
SMILESCOC1CCCC1NC(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-12-4-2-3-11(12)16-13(17)9-6-5-8(7-10(9)14)21(15,18)19/h5-7,11-12H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKKABFOHHQOOMDF-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds4

About 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide

2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide (PubChem CID 62088634) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
PubChem CID62088634
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
SMILESCOC1CCCC1NC(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-12-4-2-3-11(12)16-13(17)9-6-5-8(7-10(9)14)21(15,18)19/h5-7,11-12H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKKABFOHHQOOMDF-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

N-(2-methoxycyclopentyl)-3-methyl-5-sulfamoylbenzamide
CID 65388634
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 107123005
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide (CID 62088634) is 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide is COC1CCCC1NC(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide?
The InChIKey is KKABFOHHQOOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-12-4-2-3-11(12)16-13(17)9-6-5-8(7-10(9)14)21(15,18)19/h5-7,11-12H,2-4H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide?
2-fluoro-N-(2-methoxycyclopentyl)-4-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 2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 62088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).