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

C18H15ClFNO2S — CID 10361383

IUPAC2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
SMILESCc1c(F)ccc2c1c(Sc1ccccc1Cl)c(C)n2CC(=O)O
InChIInChI=1S/C18H15ClFNO2S/c1-10-13(20)7-8-14-17(10)18(11(2)21(14)9-16(22)23)24-15-6-4-3-5-12(15)19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyIABFDAOJHRHPDZ-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.29
Rot. Bonds4

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

2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid (PubChem CID 10361383) has the molecular formula C18H15ClFNO2S and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
PubChem CID10361383
Molecular FormulaC18H15ClFNO2S
Molecular Weight363.84 g/mol
Exact Mass363.05
IUPAC Name2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid
SMILESCc1c(F)ccc2c1c(Sc1ccccc1Cl)c(C)n2CC(=O)O
InChIInChI=1S/C18H15ClFNO2S/c1-10-13(20)7-8-14-17(10)18(11(2)21(14)9-16(22)23)24-15-6-4-3-5-12(15)19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyIABFDAOJHRHPDZ-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

2-[3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonylindol-1-yl]acetic acid
CID 21077815
2-[4-(benzylamino)-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 141369830
2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 10090285
2-[3-(4-chlorophenyl)sulfanyl-2-methylpyrrolo[3,2-b]pyridin-1-yl]acetic acid
CID 11573514
2-(3-benzylsulfanyl-5-fluoro-2-methylindol-1-yl)acetic acid
CID 69457532
2-(2,3,4-trimethylindol-1-yl)acetic acid
CID 21386792
1-(carboxymethyl)-3-(4-chlorophenyl)-2-methylindole-5-carboxylic acid
CID 174484175
2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 10407275
3-[1-(carboxymethyl)-6-chloro-7-fluoro-2-methylindol-3-yl]sulfanylbenzoic acid
CID 122424866
2-[5-chloro-2-methyl-3-(4-oxo-3-propan-2-ylphthalazin-1-yl)indol-1-yl]acetic acid
CID 52918676
2-[3-(4-chlorophenoxy)-2-methyl-5-methylsulfanylindol-1-yl]acetic acid
CID 68617608
2-[5-chloro-2-methyl-3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67151302

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid (CID 10361383) is 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid is Cc1c(F)ccc2c1c(Sc1ccccc1Cl)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
The InChIKey is IABFDAOJHRHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2S/c1-10-13(20)7-8-14-17(10)18(11(2)21(14)9-16(22)23)24-15-6-4-3-5-12(15)19/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid?
2-[3-(2-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-(2-chlorophenyl)sulfanyl-5-fluoro-2,4-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 10361383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).