(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one

C17H13Cl2NO3S — CID 131728300

IUPAC(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCS(=O)COc1ccc(Cl)cc1/C=C1\C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H13Cl2NO3S/c1-24(22)9-23-16-5-3-11(18)6-10(16)7-14-13-4-2-12(19)8-15(13)20-17(14)21/h2-8H,9H2,1H3,(H,20,21)/b14-7-
InChIKeyQEXACFVDHRHSES-AUWJEWJLSA-N
MW382.27 g/mol
LogP4.20
Rot. Bonds4

About (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 131728300) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID131728300
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCS(=O)COc1ccc(Cl)cc1/C=C1\C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H13Cl2NO3S/c1-24(22)9-23-16-5-3-11(18)6-10(16)7-14-13-4-2-12(19)8-15(13)20-17(14)21/h2-8H,9H2,1H3,(H,20,21)/b14-7-
InChIKeyQEXACFVDHRHSES-AUWJEWJLSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571
(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
CID 21370152
6-chloro-3-[(5-chloro-2-iodophenyl)methylidene]-1H-indol-2-one
CID 71028321
6-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 4809559
(3E)-3-[(2-bromo-4-butoxy-5-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 21370163
(3E)-6-chloro-3-propylidene-1H-indol-2-one
CID 59774782
ethyl 2-[2-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-fluorophenoxy]-2-methylpropanoate
CID 86632067
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
ethyl 2-[4-chloro-2-[(Z)-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-2-methylpropanoate
CID 68956400
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3E)-6-chloro-3-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 21370180

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one (CID 131728300) is (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one is CS(=O)COc1ccc(Cl)cc1/C=C1\C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is QEXACFVDHRHSES-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c1-24(22)9-23-16-5-3-11(18)6-10(16)7-14-13-4-2-12(19)8-15(13)20-17(14)21/h2-8H,9H2,1H3,(H,20,21)/b14-7-.
What are the key properties of (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 382.27 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 131728300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).