[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone

C24H18ClNO3S — CID 20882685

IUPAC[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClNO3S/c1-15-3-6-17(7-4-15)23(27)21-14-26-22-12-5-16(2)13-20(22)24(21)30(28,29)19-10-8-18(25)9-11-19/h3-14H,1-2H3
InChIKeyZUASMFFDOBWIET-UHFFFAOYSA-N
MW435.93 g/mol
LogP5.57
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone

[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone (PubChem CID 20882685) has the molecular formula C24H18ClNO3S and a molecular weight of 435.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
PubChem CID20882685
Molecular FormulaC24H18ClNO3S
Molecular Weight435.93 g/mol
Exact Mass435.07
IUPAC Name[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClNO3S/c1-15-3-6-17(7-4-15)23(27)21-14-26-22-12-5-16(2)13-20(22)24(21)30(28,29)19-10-8-18(25)9-11-19/h3-14H,1-2H3
InChIKeyZUASMFFDOBWIET-UHFFFAOYSA-N
XLogP5.57
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.93
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone (CID 20882685) is [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone?
The InChIKey is ZUASMFFDOBWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO3S/c1-15-3-6-17(7-4-15)23(27)21-14-26-22-12-5-16(2)13-20(22)24(21)30(28,29)19-10-8-18(25)9-11-19/h3-14H,1-2H3.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone?
[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone has a molecular weight of 435.93 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 20882685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).