1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid

C18H16N2O5S — CID 154784937

IUPAC1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCc4ccc(C(=O)O)cc43)ccc21
InChIInChI=1S/C18H16N2O5S/c1-19-15-5-4-14(8-13(15)10-17(19)21)26(24,25)20-7-6-11-2-3-12(18(22)23)9-16(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)
InChIKeyOLWZDRURACETTJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.66
Rot. Bonds3

About 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid

1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid (PubChem CID 154784937) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
PubChem CID154784937
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCc4ccc(C(=O)O)cc43)ccc21
InChIInChI=1S/C18H16N2O5S/c1-19-15-5-4-14(8-13(15)10-17(19)21)26(24,25)20-7-6-11-2-3-12(18(22)23)9-16(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)
InChIKeyOLWZDRURACETTJ-UHFFFAOYSA-N
XLogP1.66
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
5-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methyl-3H-indol-2-one
CID 24602697
1-methyl-6-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]-3,4-dihydroquinolin-2-one
CID 110427320
1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060
[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160542
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
CID 110721628
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382377
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid (CID 154784937) is 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid is CN1C(=O)Cc2cc(S(=O)(=O)N3CCc4ccc(C(=O)O)cc43)ccc21.
What is the InChIKey of 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is OLWZDRURACETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-19-15-5-4-14(8-13(15)10-17(19)21)26(24,25)20-7-6-11-2-3-12(18(22)23)9-16(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,22,23).
What are the key properties of 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid?
1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 154784937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).