4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

C23H24F2N4O2S — CID 4079117

IUPAC4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O2S/c24-19-3-7-21(8-4-19)28-12-14-29(15-13-28)23(18-2-1-11-26-16-18)17-27-32(30,31)22-9-5-20(25)6-10-22/h1-11,16,23,27H,12-15,17H2
InChIKeyXLDRZXPTUCQBBH-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.20
Rot. Bonds7

About 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 4079117) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID4079117
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC Name4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O2S/c24-19-3-7-21(8-4-19)28-12-14-29(15-13-28)23(18-2-1-11-26-16-18)17-27-32(30,31)22-9-5-20(25)6-10-22/h1-11,16,23,27H,12-15,17H2
InChIKeyXLDRZXPTUCQBBH-UHFFFAOYSA-N
XLogP3.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 4079117) is 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is XLDRZXPTUCQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c24-19-3-7-21(8-4-19)28-12-14-29(15-13-28)23(18-2-1-11-26-16-18)17-27-32(30,31)22-9-5-20(25)6-10-22/h1-11,16,23,27H,12-15,17H2.
What are the key properties of 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 458.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 4079117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).