5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide

C14H16FNO3S — CID 175921438

IUPAC5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide
SMILESCC1(S(=O)(=O)NC(=O)c2cc(C3CC3)ccc2F)CC1
InChIInChI=1S/C14H16FNO3S/c1-14(6-7-14)20(18,19)16-13(17)11-8-10(9-2-3-9)4-5-12(11)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyQARXLNUOQNBVBS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.32
Rot. Bonds4

About 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide

5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide (PubChem CID 175921438) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide
PubChem CID175921438
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide
SMILESCC1(S(=O)(=O)NC(=O)c2cc(C3CC3)ccc2F)CC1
InChIInChI=1S/C14H16FNO3S/c1-14(6-7-14)20(18,19)16-13(17)11-8-10(9-2-3-9)4-5-12(11)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyQARXLNUOQNBVBS-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide (CID 175921438) is 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide is CC1(S(=O)(=O)NC(=O)c2cc(C3CC3)ccc2F)CC1.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide?
The InChIKey is QARXLNUOQNBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-14(6-7-14)20(18,19)16-13(17)11-8-10(9-2-3-9)4-5-12(11)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide?
5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide is sourced from PubChem (CID 175921438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).