3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one

C14H10N2O4S — CID 63835918

IUPAC3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3[N+](=O)[O-])ccc2C1O
InChIInChI=1S/C14H10N2O4S/c17-13-9-6-5-8(7-10(9)15-14(13)18)21-12-4-2-1-3-11(12)16(19)20/h1-7,13,17H,(H,15,18)
InChIKeyIKVMMMWPEFCRFY-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.73
Rot. Bonds3

About 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one

3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 63835918) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID63835918
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccc3[N+](=O)[O-])ccc2C1O
InChIInChI=1S/C14H10N2O4S/c17-13-9-6-5-8(7-10(9)15-14(13)18)21-12-4-2-1-3-11(12)16(19)20/h1-7,13,17H,(H,15,18)
InChIKeyIKVMMMWPEFCRFY-UHFFFAOYSA-N
XLogP2.73
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one (CID 63835918) is 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccccc3[N+](=O)[O-])ccc2C1O.
What is the InChIKey of 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is IKVMMMWPEFCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-13-9-6-5-8(7-10(9)15-14(13)18)21-12-4-2-1-3-11(12)16(19)20/h1-7,13,17H,(H,15,18).
What are the key properties of 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one?
3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 302.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-nitrophenyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 63835918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).