6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione

C18H12Cl2N2O3S — CID 134469710

IUPAC6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCN1C(=O)C(O)=C(Sc2ccc(Cl)cc2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C18H12Cl2N2O3S/c1-22-16(24)14(23)15(26-11-5-2-9(19)3-6-11)18(22)12-7-4-10(20)8-13(12)21-17(18)25/h2-8,23H,1H3,(H,21,25)
InChIKeyPMENLCYNFMVJON-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.17
Rot. Bonds2

About 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione

6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 134469710) has the molecular formula C18H12Cl2N2O3S and a molecular weight of 407.28 g/mol. Its IUPAC name is 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
PubChem CID134469710
Molecular FormulaC18H12Cl2N2O3S
Molecular Weight407.28 g/mol
Exact Mass405.99
IUPAC Name6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCN1C(=O)C(O)=C(Sc2ccc(Cl)cc2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C18H12Cl2N2O3S/c1-22-16(24)14(23)15(26-11-5-2-9(19)3-6-11)18(22)12-7-4-10(20)8-13(12)21-17(18)25/h2-8,23H,1H3,(H,21,25)
InChIKeyPMENLCYNFMVJON-UHFFFAOYSA-N
XLogP4.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 129097078
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
6-chloro-1'-(3-chlorophenyl)-3'-hydroxy-4'-(1-methylcyclopropanecarbonyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 118578333
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 129120407
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
CID 155891599
6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 118578388
3'-tert-butyl-6-chloro-5'-(5-chloro-2-methoxyphenyl)spiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 118578389
6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84637977
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 72546604
6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 129120359

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (CID 134469710) is 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is CN1C(=O)C(O)=C(Sc2ccc(Cl)cc2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is PMENLCYNFMVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3S/c1-22-16(24)14(23)15(26-11-5-2-9(19)3-6-11)18(22)12-7-4-10(20)8-13(12)21-17(18)25/h2-8,23H,1H3,(H,21,25).
What are the key properties of 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 407.28 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 134469710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).