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

C23H13Cl3N2O3S — CID 129097078

IUPAC6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESO=C1C(O)=C(Sc2ccc(Cl)cc2)C2(C(=O)Nc3cc(Cl)ccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C23H13Cl3N2O3S/c24-12-4-7-16(8-5-12)32-20-19(29)21(30)28(15-3-1-2-13(25)10-15)23(20)17-9-6-14(26)11-18(17)27-22(23)31/h1-11,29H,(H,27,31)
InChIKeyZIGJTCOYTIHCNI-UHFFFAOYSA-N
MW503.79 g/mol
LogP6.40
Rot. Bonds3

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

6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 129097078) has the molecular formula C23H13Cl3N2O3S and a molecular weight of 503.79 g/mol. Its IUPAC name is 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
PubChem CID129097078
Molecular FormulaC23H13Cl3N2O3S
Molecular Weight503.79 g/mol
Exact Mass501.97
IUPAC Name6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESO=C1C(O)=C(Sc2ccc(Cl)cc2)C2(C(=O)Nc3cc(Cl)ccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C23H13Cl3N2O3S/c24-12-4-7-16(8-5-12)32-20-19(29)21(30)28(15-3-1-2-13(25)10-15)23(20)17-9-6-14(26)11-18(17)27-22(23)31/h1-11,29H,(H,27,31)
InChIKeyZIGJTCOYTIHCNI-UHFFFAOYSA-N
XLogP6.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.79
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4'-(4-chlorophenyl)sulfanyl-3'-hydroxy-1'-methylspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 134469710
6-chloro-1'-(3-chlorophenyl)-3'-hydroxy-4'-(1-methylcyclopropanecarbonyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 118578333
6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 129120407
6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione
CID 157300423
(3R)-6-chloro-5'-(3-chlorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 150556753
(5S)-6'-chloro-3-(4-chlorophenyl)-4-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
CID 127046904
(3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656496
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613231
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione
CID 5217850
(3S)-6-chloro-5'-(3-chlorophenyl)-2'-[2-(2-fluoroethoxy)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656639

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (CID 129097078) is 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is O=C1C(O)=C(Sc2ccc(Cl)cc2)C2(C(=O)Nc3cc(Cl)ccc32)N1c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is ZIGJTCOYTIHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3N2O3S/c24-12-4-7-16(8-5-12)32-20-19(29)21(30)28(15-3-1-2-13(25)10-15)23(20)17-9-6-14(26)11-18(17)27-22(23)31/h1-11,29H,(H,27,31).
What are the key properties of 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 503.79 g/mol, XLogP of 6.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)sulfanyl-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 129097078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).