3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one

C14H9ClFNO3S — CID 2965858

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNO3S/c15-12-4-3-11(21-12)10(18)6-14(20)8-5-7(16)1-2-9(8)17-13(14)19/h1-5,20H,6H2,(H,17,19)
InChIKeyOGUUYHAMXIHDPR-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.95
Rot. Bonds3

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 2965858) has the molecular formula C14H9ClFNO3S and a molecular weight of 325.75 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID2965858
Molecular FormulaC14H9ClFNO3S
Molecular Weight325.75 g/mol
Exact Mass325.00
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNO3S/c15-12-4-3-11(21-12)10(18)6-14(20)8-5-7(16)1-2-9(8)17-13(14)19/h1-5,20H,6H2,(H,17,19)
InChIKeyOGUUYHAMXIHDPR-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (CID 2965858) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)s1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is OGUUYHAMXIHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3S/c15-12-4-3-11(21-12)10(18)6-14(20)8-5-7(16)1-2-9(8)17-13(14)19/h1-5,20H,6H2,(H,17,19).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 325.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2965858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).