5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

C15H13ClN2O2S — CID 102926178

IUPAC5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)c1
InChIInChI=1S/C15H13ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6,14,19H,1-2H3,(H,18,20)
InChIKeySECPIFSUYUVLQM-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.49
Rot. Bonds2

About 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 102926178) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID102926178
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)c1
InChIInChI=1S/C15H13ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6,14,19H,1-2H3,(H,18,20)
InChIKeySECPIFSUYUVLQM-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 102926178) is 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is Cc1cc(C)nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)c1.
What is the InChIKey of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is SECPIFSUYUVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6,14,19H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 320.80 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 102926178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).