2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid

C18H15ClFNO2S — CID 10473927

IUPAC2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
SMILESCc1c(F)ccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyVAJPAWXFYKFUMH-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.29
Rot. Bonds4

About 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid

2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid (PubChem CID 10473927) has the molecular formula C18H15ClFNO2S and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
PubChem CID10473927
Molecular FormulaC18H15ClFNO2S
Molecular Weight363.84 g/mol
Exact Mass363.05
IUPAC Name2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
SMILESCc1c(F)ccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyVAJPAWXFYKFUMH-UHFFFAOYSA-N
XLogP5.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-1981
CID 11292191
3-[(4-chlorophenyl)thio]-2-methyl-4-phenyl-1H-indole-1-acetic Acid
CID 10069991
2-[3-(4-Chlorophenyl)sulfanyl-2-methyl-4-pyrazin-2-ylindol-1-yl]acetic acid
CID 11281300
2-[3-(3-Chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 9999681
3-[(4-chlorophenyl)thio]-2,5-dimethyl-1H-indole-1-acetic Acid
CID 10020475
2-[3-(4-Chlorophenyl)sulfinyl-2,5-dimethylindol-1-yl]acetic acid
CID 10021510
4-Chloro-3-[(4-chlorophenyl)thio]-2-methyl-1h-indole-1-acetic acid
CID 10021783
3-[(2-chlorophenyl)thio]-2,5-dimethyl-1H-indole-1-ylacetic acid
CID 10043211
3-[(4-Chlorophenyl)thio]-2-methyl-5-phenyl-1h-indole-1-acetic acid
CID 10047003
3-[(4-Chlorophenyl)thio]-2-methyl-5-(methylsulfonyl)-1h-indole-1-acetic acid
CID 10047141
2-[3-(2,6-Dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 10047280
6-Chloro-3-[(4-chlorophenyl)thio]-2-methyl-1h-indole-1-acetic acid
CID 10090285

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid (CID 10473927) is 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid is Cc1c(F)ccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The InChIKey is VAJPAWXFYKFUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid has a molecular weight of 363.84 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 10473927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).