[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone

C23H16FNO4S — CID 2140998

IUPAC[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone
SMILESCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H16FNO4S/c1-29-17-9-12-21-19(13-17)23(30(27,28)18-10-7-16(24)8-11-18)20(14-25-21)22(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyWVZFWAJLHXVFOO-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.45
Rot. Bonds5

About [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone

[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone (PubChem CID 2140998) has the molecular formula C23H16FNO4S and a molecular weight of 421.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone
PubChem CID2140998
Molecular FormulaC23H16FNO4S
Molecular Weight421.45 g/mol
Exact Mass421.08
IUPAC Name[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone
SMILESCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H16FNO4S/c1-29-17-9-12-21-19(13-17)23(30(27,28)18-10-7-16(24)8-11-18)20(14-25-21)22(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyWVZFWAJLHXVFOO-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-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone (CID 2140998) is [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone is COc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone?
The InChIKey is WVZFWAJLHXVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4S/c1-29-17-9-12-21-19(13-17)23(30(27,28)18-10-7-16(24)8-11-18)20(14-25-21)22(26)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone?
[4-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone 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-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 2140998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).