4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C15H11Cl2NO3S — CID 2976345

IUPAC4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H11Cl2NO3S/c1-7-2-3-8(16)12-13(7)18-14(20)15(12,21)6-9(19)10-4-5-11(17)22-10/h2-5,21H,6H2,1H3,(H,18,20)
InChIKeyDNEJKGGGPJUUFM-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 2976345) has the molecular formula C15H11Cl2NO3S and a molecular weight of 356.23 g/mol. Its IUPAC name is 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID2976345
Molecular FormulaC15H11Cl2NO3S
Molecular Weight356.23 g/mol
Exact Mass354.98
IUPAC Name4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H11Cl2NO3S/c1-7-2-3-8(16)12-13(7)18-14(20)15(12,21)6-9(19)10-4-5-11(17)22-10/h2-5,21H,6H2,1H3,(H,18,20)
InChIKeyDNEJKGGGPJUUFM-UHFFFAOYSA-N
XLogP3.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 3152131
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 7275803
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2965858
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-5-iodo-1H-indol-2-one
CID 2221766
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-5-nitro-1H-indol-2-one
CID 2966203
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
CID 159814062
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2224257

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 2976345) is 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is DNEJKGGGPJUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3S/c1-7-2-3-8(16)12-13(7)18-14(20)15(12,21)6-9(19)10-4-5-11(17)22-10/h2-5,21H,6H2,1H3,(H,18,20).
What are the key properties of 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 356.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 2976345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).