5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one

C24H17ClN2O5S — CID 118193473

IUPAC5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one
SMILESCOc1ccccc1C1(O)C(=O)N(S(=O)(=O)c2ccc3ncccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C24H17ClN2O5S/c1-32-22-7-3-2-6-18(22)24(29)19-14-16(25)8-11-21(19)27(23(24)28)33(30,31)17-9-10-20-15(13-17)5-4-12-26-20/h2-14,29H,1H3
InChIKeyXLYVVQAPXZBWKX-UHFFFAOYSA-N
MW480.93 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one

5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one (PubChem CID 118193473) has the molecular formula C24H17ClN2O5S and a molecular weight of 480.93 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one
PubChem CID118193473
Molecular FormulaC24H17ClN2O5S
Molecular Weight480.93 g/mol
Exact Mass480.05
IUPAC Name5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one
SMILESCOc1ccccc1C1(O)C(=O)N(S(=O)(=O)c2ccc3ncccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C24H17ClN2O5S/c1-32-22-7-3-2-6-18(22)24(29)19-14-16(25)8-11-21(19)27(23(24)28)33(30,31)17-9-10-20-15(13-17)5-4-12-26-20/h2-14,29H,1H3
InChIKeyXLYVVQAPXZBWKX-UHFFFAOYSA-N
XLogP3.87
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one (CID 118193473) is 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one is COc1ccccc1C1(O)C(=O)N(S(=O)(=O)c2ccc3ncccc3c2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one?
The InChIKey is XLYVVQAPXZBWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O5S/c1-32-22-7-3-2-6-18(22)24(29)19-14-16(25)8-11-21(19)27(23(24)28)33(30,31)17-9-10-20-15(13-17)5-4-12-26-20/h2-14,29H,1H3.
What are the key properties of 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one?
5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one has a molecular weight of 480.93 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-(2-methoxyphenyl)-1-quinolin-6-ylsulfonylindol-2-one is sourced from PubChem (CID 118193473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).