[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone

C23H16FNO4S — CID 2150081

IUPAC[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H16FNO4S/c1-29-17-10-7-15(8-11-17)22(26)20-14-25-21-12-9-16(24)13-19(21)23(20)30(27,28)18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyDURQHFYPGQCHDW-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.45
Rot. Bonds5

About [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone

[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 2150081) has the molecular formula C23H16FNO4S and a molecular weight of 421.45 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID2150081
Molecular FormulaC23H16FNO4S
Molecular Weight421.45 g/mol
Exact Mass421.08
IUPAC Name[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H16FNO4S/c1-29-17-10-7-15(8-11-17)22(26)20-14-25-21-12-9-16(24)13-19(21)23(20)30(27,28)18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyDURQHFYPGQCHDW-UHFFFAOYSA-N
XLogP4.45
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone (CID 2150081) is [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DURQHFYPGQCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4S/c1-29-17-10-7-15(8-11-17)22(26)20-14-25-21-12-9-16(24)13-19(21)23(20)30(27,28)18-5-3-2-4-6-18/h2-14H,1H3.
What are the key properties of [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone?
[4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 421.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2150081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).