N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

C24H25FN4O3S — CID 4558937

IUPACN-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C24H25FN4O3S/c1-2-18-7-3-4-8-21(18)27-24(30)19-10-11-20(25)22(17-19)33(31,32)29-15-13-28(14-16-29)23-9-5-6-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30)
InChIKeyMPARTRFCIMJKKT-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.55
Rot. Bonds6

About N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 4558937) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID4558937
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC NameN-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C24H25FN4O3S/c1-2-18-7-3-4-8-21(18)27-24(30)19-10-11-20(25)22(17-19)33(31,32)29-15-13-28(14-16-29)23-9-5-6-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30)
InChIKeyMPARTRFCIMJKKT-UHFFFAOYSA-N
XLogP3.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylphenyl)-4-fluoro-3-(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 N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 4558937) is N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is MPARTRFCIMJKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-2-18-7-3-4-8-21(18)27-24(30)19-10-11-20(25)22(17-19)33(31,32)29-15-13-28(14-16-29)23-9-5-6-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30).
What are the key properties of N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 468.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4558937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).