[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone

C23H16ClNO4S — CID 2137534

IUPAC[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
SMILESCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H16ClNO4S/c1-29-17-8-10-18(11-9-17)30(27,28)23-19-13-16(24)7-12-21(19)25-14-20(23)22(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyUBMFDOQNAZZTQD-UHFFFAOYSA-N
MW437.90 g/mol
LogP4.96
Rot. Bonds5

About [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone

[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone (PubChem CID 2137534) has the molecular formula C23H16ClNO4S and a molecular weight of 437.90 g/mol. Its IUPAC name is [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
PubChem CID2137534
Molecular FormulaC23H16ClNO4S
Molecular Weight437.90 g/mol
Exact Mass437.05
IUPAC Name[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
SMILESCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H16ClNO4S/c1-29-17-8-10-18(11-9-17)30(27,28)23-19-13-16(24)7-12-21(19)25-14-20(23)22(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyUBMFDOQNAZZTQD-UHFFFAOYSA-N
XLogP4.96
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The IUPAC name of [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone (CID 2137534) is [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The canonical SMILES for [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone is COc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1.
What is the InChIKey of [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone?
The InChIKey is UBMFDOQNAZZTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO4S/c1-29-17-8-10-18(11-9-17)30(27,28)23-19-13-16(24)7-12-21(19)25-14-20(23)22(26)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone?
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone has a molecular weight of 437.90 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 2137534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).