N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide

C26H29FN4O2S — CID 68860348

IUPACN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2S/c27-22-8-12-25(13-9-22)34(32,33)29-23-10-5-20(6-11-23)21-7-14-26(28-19-21)31-17-15-30(16-18-31)24-3-1-2-4-24/h5-14,19,24,29H,1-4,15-18H2
InChIKeyCDEQNRNWFUQWIA-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.75
Rot. Bonds6

About N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide

N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 68860348) has the molecular formula C26H29FN4O2S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID68860348
Molecular FormulaC26H29FN4O2S
Molecular Weight480.61 g/mol
Exact Mass480.20
IUPAC NameN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2S/c27-22-8-12-25(13-9-22)34(32,33)29-23-10-5-20(6-11-23)21-7-14-26(28-19-21)31-17-15-30(16-18-31)24-3-1-2-4-24/h5-14,19,24,29H,1-4,15-18H2
InChIKeyCDEQNRNWFUQWIA-UHFFFAOYSA-N
XLogP4.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Dubermatinib
CID 56839178
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
Arylsulfonylpiperazine, 10
CID 23648664
Arylsulfonylpiperazine, 18
CID 24901355
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
11beta-HSD1 inibitor 17
CID 44237022
Arylsulfonylpiperazine, 39
CID 44237031
N-(4-Fluorobenzyl)-N-(2-Methylpropyl)-6-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyridine-3-Sulfonamide
CID 86277915
N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
CID 149370917
N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
CID 149619121
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide (CID 68860348) is N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is CDEQNRNWFUQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2S/c27-22-8-12-25(13-9-22)34(32,33)29-23-10-5-20(6-11-23)21-7-14-26(28-19-21)31-17-15-30(16-18-31)24-3-1-2-4-24/h5-14,19,24,29H,1-4,15-18H2.
What are the key properties of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide?
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 480.61 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 68860348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).