5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one

C17H13ClN2O3S — CID 146524268

IUPAC5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12
InChIInChI=1S/C17H13ClN2O3S/c18-12-5-4-11-7-9-20(15(11)10-12)24(22,23)16-3-1-2-14-13(16)6-8-19-17(14)21/h1-6,8,10H,7,9H2,(H,19,21)
InChIKeyXDISKRKRADHGHP-UHFFFAOYSA-N
MW360.82 g/mol
LogP2.93
Rot. Bonds2

About 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one

5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one (PubChem CID 146524268) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
PubChem CID146524268
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12
InChIInChI=1S/C17H13ClN2O3S/c18-12-5-4-11-7-9-20(15(11)10-12)24(22,23)16-3-1-2-14-13(16)6-8-19-17(14)21/h1-6,8,10H,7,9H2,(H,19,21)
InChIKeyXDISKRKRADHGHP-UHFFFAOYSA-N
XLogP2.93
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2H-isoquinolin-1-one;5-[(4-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one;5-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one;tris(5-[(6-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one)
CID 165058011
5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
CID 146524270
5-[(4-cyclopropyl-6-isocyano-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
CID 153490360
1-[(4-chloro-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-2,3-dihydropyrrolo[3,2-b]pyridine-6-carbonitrile;1-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-2,3-dihydropyrrolo[3,2-b]pyridine-6-carbonitrile;1-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]-2,3-dihydropyrrolo[3,2-b]pyridine-6-carbonitrile
CID 160900329
6-chloro-2,3-dihydro-1H-indole;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2-hydroxyisoquinolin-2-ium;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoroisoquinoline;5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-fluoro-2H-isoquinolin-1-one;4-fluoroisoquinoline-5-sulfonyl chloride
CID 159926430
1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28970986
4-amino-1-[(4-chloro-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-2,3-dihydroindole-6-carbonitrile
CID 146524238
5-(3-amino-2,2-dimethylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one
CID 21278298
6-chloro-1-(3-cyclopropyl-1-propylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 166343270
4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
CID 167785269
(E)-3-[3-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-methoxyphenyl]prop-2-enoic acid
CID 167932004
5-[(6-isocyano-4-methyl-2,3-dihydroindol-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one
CID 153490363

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The IUPAC name of 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one (CID 146524268) is 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one is O=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccc(Cl)cc43)cccc12.
What is the InChIKey of 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
The InChIKey is XDISKRKRADHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-12-5-4-11-7-9-20(15(11)10-12)24(22,23)16-3-1-2-14-13(16)6-8-19-17(14)21/h1-6,8,10H,7,9H2,(H,19,21).
What are the key properties of 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one?
5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one has a molecular weight of 360.82 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 146524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).