3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide

C23H23FN4O3S — CID 24818208

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H23FN4O3S/c1-17-4-3-11-25-22(17)26-23(29)18-5-2-6-21(16-18)32(30,31)28-14-12-27(13-15-28)20-9-7-19(24)8-10-20/h2-11,16H,12-15H2,1H3,(H,25,26,29)
InChIKeyQHAIKQXTLLZPEA-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.29
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide

3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 24818208) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID24818208
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H23FN4O3S/c1-17-4-3-11-25-22(17)26-23(29)18-5-2-6-21(16-18)32(30,31)28-14-12-27(13-15-28)20-9-7-19(24)8-10-20/h2-11,16H,12-15H2,1H3,(H,25,26,29)
InChIKeyQHAIKQXTLLZPEA-UHFFFAOYSA-N
XLogP3.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide (CID 24818208) is 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is QHAIKQXTLLZPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-17-4-3-11-25-22(17)26-23(29)18-5-2-6-21(16-18)32(30,31)28-14-12-27(13-15-28)20-9-7-19(24)8-10-20/h2-11,16H,12-15H2,1H3,(H,25,26,29).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24818208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).