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)

C107H94N12O18S6 — CID 165058011

IUPAC5-(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)
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.O=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccccc43)cccc12
InChIInChI=1S/5C18H16N2O3S.C17H14N2O3S/c1-12-4-2-6-16-13(12)9-11-20(16)24(22,23)17-7-3-5-15-14(17)8-10-19-18(15)21;1-12-5-6-16-13(11-12)8-10-20(16)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;3*1-12-5-6-13-8-10-20(16(13)11-12)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;20-17-14-5-3-7-16(13(14)8-10-18-17)23(21,22)19-11-9-12-4-1-2-6-15(12)19/h2-8,10H,9,11H2,1H3,(H,19,21);4*2-7,9,11H,8,10H2,1H3,(H,19,21);1-8,10H,9,11H2,(H,18,20)
InChIKeyQTCBVKHBKHYSNQ-UHFFFAOYSA-N
MW2028.40 g/mol
LogP15.22
Rot. Bonds12

About 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)

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) (PubChem CID 165058011) has the molecular formula C107H94N12O18S6 and a molecular weight of 2028.40 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name5-(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)
PubChem CID165058011
Molecular FormulaC107H94N12O18S6
Molecular Weight2028.40 g/mol
Exact Mass2026.51
IUPAC Name5-(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)
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.O=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccccc43)cccc12
InChIInChI=1S/5C18H16N2O3S.C17H14N2O3S/c1-12-4-2-6-16-13(12)9-11-20(16)24(22,23)17-7-3-5-15-14(17)8-10-19-18(15)21;1-12-5-6-16-13(11-12)8-10-20(16)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;3*1-12-5-6-13-8-10-20(16(13)11-12)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;20-17-14-5-3-7-16(13(14)8-10-18-17)23(21,22)19-11-9-12-4-1-2-6-15(12)19/h2-8,10H,9,11H2,1H3,(H,19,21);4*2-7,9,11H,8,10H2,1H3,(H,19,21);1-8,10H,9,11H2,(H,18,20)
InChIKeyQTCBVKHBKHYSNQ-UHFFFAOYSA-N
XLogP15.22
TPSA421.44 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.40
LogP ≤ 515.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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) with MolForge

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Related Compounds

5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
CID 146524268
5-[(4-ethyl-2,3-dihydroindol-1-yl)sulfonyl]-2H-isoquinolin-1-one
CID 146524270
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
CID 110634944
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
3-methyl-11-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572810
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
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
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-(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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c(=O)[nH]ccc13)CC2.Cc1cccc2c1CCN2S(=O)(=O)c1cccc2c(=O)[nH]ccc12.O=c1[nH]ccc2c(S(=O)(=O)N3CCc4ccccc43)cccc12.
What is the InChIKey of 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)?
The InChIKey is QTCBVKHBKHYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H16N2O3S.C17H14N2O3S/c1-12-4-2-6-16-13(12)9-11-20(16)24(22,23)17-7-3-5-15-14(17)8-10-19-18(15)21;1-12-5-6-16-13(11-12)8-10-20(16)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;3*1-12-5-6-13-8-10-20(16(13)11-12)24(22,23)17-4-2-3-15-14(17)7-9-19-18(15)21;20-17-14-5-3-7-16(13(14)8-10-18-17)23(21,22)19-11-9-12-4-1-2-6-15(12)19/h2-8,10H,9,11H2,1H3,(H,19,21);4*2-7,9,11H,8,10H2,1H3,(H,19,21);1-8,10H,9,11H2,(H,18,20).
What are the key properties of 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)?
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) has a molecular weight of 2028.40 g/mol, XLogP of 15.22, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 165058011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).