4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one

C23H18ClN3O4S — CID 2112295

IUPAC4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2N1
InChIInChI=1S/C23H18ClN3O4S/c24-17-10-9-16(23(29)26-14-22(28)25-18-6-2-4-8-20(18)26)13-21(17)32(30,31)27-12-11-15-5-1-3-7-19(15)27/h1-10,13H,11-12,14H2,(H,25,28)
InChIKeyVKDQBIXOYNYHJM-UHFFFAOYSA-N
MW467.93 g/mol
LogP3.69
Rot. Bonds3

About 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one

4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2112295) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2112295
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2N1
InChIInChI=1S/C23H18ClN3O4S/c24-17-10-9-16(23(29)26-14-22(28)25-18-6-2-4-8-20(18)26)13-21(17)32(30,31)27-12-11-15-5-1-3-7-19(15)27/h1-10,13H,11-12,14H2,(H,25,28)
InChIKeyVKDQBIXOYNYHJM-UHFFFAOYSA-N
XLogP3.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 2112295) is 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2N1.
What is the InChIKey of 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VKDQBIXOYNYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c24-17-10-9-16(23(29)26-14-22(28)25-18-6-2-4-8-20(18)26)13-21(17)32(30,31)27-12-11-15-5-1-3-7-19(15)27/h1-10,13H,11-12,14H2,(H,25,28).
What are the key properties of 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 467.93 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).