6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one

C18H15NO4S — CID 4050913

IUPAC6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-2-5-16-13(10-12)8-9-19(16)24(21,22)15-4-6-17-14(11-15)3-7-18(20)23-17/h2-7,10-11H,8-9H2,1H3
InChIKeyHLVQVMMYZLVIGV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.85
Rot. Bonds2

About 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one

6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one (PubChem CID 4050913) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one.

Molecular Properties

Compound Name6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
PubChem CID4050913
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one
SMILESCc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-2-5-16-13(10-12)8-9-19(16)24(21,22)15-4-6-17-14(11-15)3-7-18(20)23-17/h2-7,10-11H,8-9H2,1H3
InChIKeyHLVQVMMYZLVIGV-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one?
The IUPAC name of 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one (CID 4050913) is 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one.
What is the SMILES notation for 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one?
The canonical SMILES for 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one is Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one?
The InChIKey is HLVQVMMYZLVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-12-2-5-16-13(10-12)8-9-19(16)24(21,22)15-4-6-17-14(11-15)3-7-18(20)23-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one?
6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-2,3-dihydroindol-1-yl)sulfonyl]chromen-2-one is sourced from PubChem (CID 4050913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).