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

C23H25FN4O2S — CID 3238629

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H25FN4O2S/c24-20-8-10-21(11-9-20)27-13-15-28(16-14-27)23(19-5-4-12-25-17-19)18-26-31(29,30)22-6-2-1-3-7-22/h1-12,17,23,26H,13-16,18H2
InChIKeyFSWQSDZHQHOWBC-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3238629) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3238629
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H25FN4O2S/c24-20-8-10-21(11-9-20)27-13-15-28(16-14-27)23(19-5-4-12-25-17-19)18-26-31(29,30)22-6-2-1-3-7-22/h1-12,17,23,26H,13-16,18H2
InChIKeyFSWQSDZHQHOWBC-UHFFFAOYSA-N
XLogP3.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3238629) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is FSWQSDZHQHOWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-20-8-10-21(11-9-20)27-13-15-28(16-14-27)23(19-5-4-12-25-17-19)18-26-31(29,30)22-6-2-1-3-7-22/h1-12,17,23,26H,13-16,18H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3238629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).