5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C17H11BrCl2N2O2S — CID 102552108

IUPAC5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCC1SC2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H11BrCl2N2O2S/c1-8-15(23)22(10-3-4-12(19)13(20)7-10)17(25-8)11-6-9(18)2-5-14(11)21-16(17)24/h2-8H,1H3,(H,21,24)
InChIKeyIFJAVJHJQUUTPB-UHFFFAOYSA-N
MW458.16 g/mol
LogP5.03
Rot. Bonds1

About 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 102552108) has the molecular formula C17H11BrCl2N2O2S and a molecular weight of 458.16 g/mol. Its IUPAC name is 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID102552108
Molecular FormulaC17H11BrCl2N2O2S
Molecular Weight458.16 g/mol
Exact Mass455.91
IUPAC Name5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCC1SC2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H11BrCl2N2O2S/c1-8-15(23)22(10-3-4-12(19)13(20)7-10)17(25-8)11-6-9(18)2-5-14(11)21-16(17)24/h2-8H,1H3,(H,21,24)
InChIKeyIFJAVJHJQUUTPB-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.16
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 102552108) is 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is CC1SC2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is IFJAVJHJQUUTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2S/c1-8-15(23)22(10-3-4-12(19)13(20)7-10)17(25-8)11-6-9(18)2-5-14(11)21-16(17)24/h2-8H,1H3,(H,21,24).
What are the key properties of 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 458.16 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 102552108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).