2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

C23H23FN4O4S — CID 15999732

IUPAC2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2F)cc1
InChIInChI=1S/C23H23FN4O4S/c1-32-18-7-5-17(6-8-18)26-23(29)20-16-19(9-10-21(20)24)33(30,31)28-14-12-27(13-15-28)22-4-2-3-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)
InChIKeyRPEYDJZWSUVVEY-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.99
Rot. Bonds6

About 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 15999732) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID15999732
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2F)cc1
InChIInChI=1S/C23H23FN4O4S/c1-32-18-7-5-17(6-8-18)26-23(29)20-16-19(9-10-21(20)24)33(30,31)28-14-12-27(13-15-28)22-4-2-3-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)
InChIKeyRPEYDJZWSUVVEY-UHFFFAOYSA-N
XLogP2.99
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)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 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 15999732) is 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is RPEYDJZWSUVVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-32-18-7-5-17(6-8-18)26-23(29)20-16-19(9-10-21(20)24)33(30,31)28-14-12-27(13-15-28)22-4-2-3-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29).
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 470.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 15999732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).