6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one

C14H10N2O4S — CID 62026119

IUPAC6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(Sc3ccccc3O)cc2N1
InChIInChI=1S/C14H10N2O4S/c17-11-3-1-2-4-12(11)21-13-7-9-8(6-14(18)15-9)5-10(13)16(19)20/h1-5,7,17H,6H2,(H,15,18)
InChIKeyYDJIKRQYUZBQOG-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.95
Rot. Bonds3

About 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one

6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one (PubChem CID 62026119) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one
PubChem CID62026119
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(Sc3ccccc3O)cc2N1
InChIInChI=1S/C14H10N2O4S/c17-11-3-1-2-4-12(11)21-13-7-9-8(6-14(18)15-9)5-10(13)16(19)20/h1-5,7,17H,6H2,(H,15,18)
InChIKeyYDJIKRQYUZBQOG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one (CID 62026119) is 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])c(Sc3ccccc3O)cc2N1.
What is the InChIKey of 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is YDJIKRQYUZBQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-11-3-1-2-4-12(11)21-13-7-9-8(6-14(18)15-9)5-10(13)16(19)20/h1-5,7,17H,6H2,(H,15,18).
What are the key properties of 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one?
6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 302.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)sulfanyl-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 62026119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).