2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid

C18H15ClFNO4S — CID 67856609

IUPAC2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
SMILESCS(=O)(=O)c1c(CC(=O)O)n(Cc2ccccc2Cl)c2ccc(F)cc12
InChIInChI=1S/C18H15ClFNO4S/c1-26(24,25)18-13-8-12(20)6-7-15(13)21(16(18)9-17(22)23)10-11-4-2-3-5-14(11)19/h2-8H,9-10H2,1H3,(H,22,23)
InChIKeyACSNBBPNWKFZFJ-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.51
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid

2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid (PubChem CID 67856609) has the molecular formula C18H15ClFNO4S and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
PubChem CID67856609
Molecular FormulaC18H15ClFNO4S
Molecular Weight395.84 g/mol
Exact Mass395.04
IUPAC Name2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
SMILESCS(=O)(=O)c1c(CC(=O)O)n(Cc2ccccc2Cl)c2ccc(F)cc12
InChIInChI=1S/C18H15ClFNO4S/c1-26(24,25)18-13-8-12(20)6-7-15(13)21(16(18)9-17(22)23)10-11-4-2-3-5-14(11)19/h2-8H,9-10H2,1H3,(H,22,23)
InChIKeyACSNBBPNWKFZFJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid (CID 67856609) is 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid is CS(=O)(=O)c1c(CC(=O)O)n(Cc2ccccc2Cl)c2ccc(F)cc12.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid?
The InChIKey is ACSNBBPNWKFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4S/c1-26(24,25)18-13-8-12(20)6-7-15(13)21(16(18)9-17(22)23)10-11-4-2-3-5-14(11)19/h2-8H,9-10H2,1H3,(H,22,23).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid?
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid has a molecular weight of 395.84 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid is sourced from PubChem (CID 67856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).