N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide

C14H19FN2O3S — CID 115880821

IUPACN-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19FN2O3S/c1-14(2)4-3-11(8-14)17-13(18)9-5-10(15)7-12(6-9)21(16,19)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyXLSFHTMENBLBJS-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.78
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide

N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide (PubChem CID 115880821) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
PubChem CID115880821
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19FN2O3S/c1-14(2)4-3-11(8-14)17-13(18)9-5-10(15)7-12(6-9)21(16,19)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyXLSFHTMENBLBJS-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide (CID 115880821) is N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide is CC1(C)CCC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is XLSFHTMENBLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(2)4-3-11(8-14)17-13(18)9-5-10(15)7-12(6-9)21(16,19)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide?
N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 115880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).