2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

C23H24F2N4O2S — CID 3240067

IUPAC2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C23H24F2N4O2S/c24-19-8-9-21(25)23(15-19)32(30,31)27-17-22(18-5-4-10-26-16-18)29-13-11-28(12-14-29)20-6-2-1-3-7-20/h1-10,15-16,22,27H,11-14,17H2
InChIKeyFYQJKBFTBHCBKD-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.20
Rot. Bonds7

About 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3240067) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3240067
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC Name2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C23H24F2N4O2S/c24-19-8-9-21(25)23(15-19)32(30,31)27-17-22(18-5-4-10-26-16-18)29-13-11-28(12-14-29)20-6-2-1-3-7-20/h1-10,15-16,22,27H,11-14,17H2
InChIKeyFYQJKBFTBHCBKD-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 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3240067) is 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is FYQJKBFTBHCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c24-19-8-9-21(25)23(15-19)32(30,31)27-17-22(18-5-4-10-26-16-18)29-13-11-28(12-14-29)20-6-2-1-3-7-20/h1-10,15-16,22,27H,11-14,17H2.
What are the key properties of 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(4-phenylpiperazin-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 2,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3240067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).