5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one

C17H15ClN2O4S — CID 110636453

IUPAC5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc2N1
InChIInChI=1S/C17H15ClN2O4S/c18-11-1-4-15-13(9-11)16(21)5-6-20(15)25(23,24)12-2-3-14-10(7-12)8-17(22)19-14/h1-4,7,9,16,21H,5-6,8H2,(H,19,22)
InChIKeyMVGFKKYNRDUPRA-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.47
Rot. Bonds2

About 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one

5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one (PubChem CID 110636453) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
PubChem CID110636453
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc2N1
InChIInChI=1S/C17H15ClN2O4S/c18-11-1-4-15-13(9-11)16(21)5-6-20(15)25(23,24)12-2-3-14-10(7-12)8-17(22)19-14/h1-4,7,9,16,21H,5-6,8H2,(H,19,22)
InChIKeyMVGFKKYNRDUPRA-UHFFFAOYSA-N
XLogP2.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one (CID 110636453) is 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCC(O)c4cc(Cl)ccc43)ccc2N1.
What is the InChIKey of 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is MVGFKKYNRDUPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c18-11-1-4-15-13(9-11)16(21)5-6-20(15)25(23,24)12-2-3-14-10(7-12)8-17(22)19-14/h1-4,7,9,16,21H,5-6,8H2,(H,19,22).
What are the key properties of 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one?
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 378.84 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110636453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).