[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

C23H23FN2O4S — CID 50757644

IUPAC[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H23FN2O4S/c1-2-30-17-7-9-18(10-8-17)31(28,29)22-19-14-16(24)6-11-21(19)25-15-20(22)23(27)26-12-4-3-5-13-26/h6-11,14-15H,2-5,12-13H2,1H3
InChIKeyFSFNOBQCONFHOY-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.23
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 50757644) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID50757644
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H23FN2O4S/c1-2-30-17-7-9-18(10-8-17)31(28,29)22-19-14-16(24)6-11-21(19)25-15-20(22)23(27)26-12-4-3-5-13-26/h6-11,14-15H,2-5,12-13H2,1H3
InChIKeyFSFNOBQCONFHOY-UHFFFAOYSA-N
XLogP4.23
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (CID 50757644) is [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is CCOc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is FSFNOBQCONFHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-2-30-17-7-9-18(10-8-17)31(28,29)22-19-14-16(24)6-11-21(19)25-15-20(22)23(27)26-12-4-3-5-13-26/h6-11,14-15H,2-5,12-13H2,1H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 442.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50757644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).