2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide

C18H18F2N2O3S — CID 3535094

IUPAC2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-13-4-6-14(7-5-13)21-18(23)16-12-15(8-9-17(16)20)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyNZCSJRQEWADTIP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide

2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 3535094) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID3535094
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-13-4-6-14(7-5-13)21-18(23)16-12-15(8-9-17(16)20)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyNZCSJRQEWADTIP-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide 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 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 3535094) is 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NZCSJRQEWADTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-13-4-6-14(7-5-13)21-18(23)16-12-15(8-9-17(16)20)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3535094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).