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

C23H24ClFN4O2S — CID 5156854

IUPAC4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClFN4O2S/c24-19-3-9-22(10-4-19)32(30,31)27-17-23(18-2-1-11-26-16-18)29-14-12-28(13-15-29)21-7-5-20(25)6-8-21/h1-11,16,23,27H,12-15,17H2
InChIKeySCJHZTLZKCNKEN-UHFFFAOYSA-N
MW474.99 g/mol
LogP3.72
Rot. Bonds7

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

4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 5156854) has the molecular formula C23H24ClFN4O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID5156854
Molecular FormulaC23H24ClFN4O2S
Molecular Weight474.99 g/mol
Exact Mass474.13
IUPAC Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClFN4O2S/c24-19-3-9-22(10-4-19)32(30,31)27-17-23(18-2-1-11-26-16-18)29-14-12-28(13-15-29)21-7-5-20(25)6-8-21/h1-11,16,23,27H,12-15,17H2
InChIKeySCJHZTLZKCNKEN-UHFFFAOYSA-N
XLogP3.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 5156854) is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-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(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is SCJHZTLZKCNKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2S/c24-19-3-9-22(10-4-19)32(30,31)27-17-23(18-2-1-11-26-16-18)29-14-12-28(13-15-29)21-7-5-20(25)6-8-21/h1-11,16,23,27H,12-15,17H2.
What are the key properties of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 474.99 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 5156854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).