4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide

C14H19FN2O3S — CID 107421023

IUPAC4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CCCC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H19FN2O3S/c1-9-3-2-4-11(9)8-17-14(18)10-5-6-12(15)13(7-10)21(16,19)20/h5-7,9,11H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWJKQEIVYFAGHOG-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.64
Rot. Bonds4

About 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide

4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide (PubChem CID 107421023) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
PubChem CID107421023
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CCCC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H19FN2O3S/c1-9-3-2-4-11(9)8-17-14(18)10-5-6-12(15)13(7-10)21(16,19)20/h5-7,9,11H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWJKQEIVYFAGHOG-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 115590000
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107420186
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 107418395
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide (CID 107421023) is 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide is CC1CCCC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is WJKQEIVYFAGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-9-3-2-4-11(9)8-17-14(18)10-5-6-12(15)13(7-10)21(16,19)20/h5-7,9,11H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide?
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 107421023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).