5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

C19H20N2O4S — CID 126793094

IUPAC5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-19(2)15-11-14(5-6-16(15)20-18(19)22)26(23,24)21-9-8-12-10-13(25-3)4-7-17(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyIMUXCJXQOFAWPW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.68
Rot. Bonds3

About 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 126793094) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID126793094
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C19H20N2O4S/c1-19(2)15-11-14(5-6-16(15)20-18(19)22)26(23,24)21-9-8-12-10-13(25-3)4-7-17(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyIMUXCJXQOFAWPW-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126795705
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 75439608
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
5-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methyl-3H-indol-2-one
CID 24602697
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
CID 30713933
4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenol
CID 149004728
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 56730285
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (CID 126793094) is 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is IMUXCJXQOFAWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(2)15-11-14(5-6-16(15)20-18(19)22)26(23,24)21-9-8-12-10-13(25-3)4-7-17(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,20,22).
What are the key properties of 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 372.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 126793094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).