2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid

C17H12Cl2FNO4S — CID 11625836

IUPAC2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2FNO4S/c1-9-12(8-17(22)23)13-7-11(20)3-5-15(13)21(9)26(24,25)16-6-10(18)2-4-14(16)19/h2-7H,8H2,1H3,(H,22,23)
InChIKeyDUFXUYDTVSRSQN-UHFFFAOYSA-N
MW416.26 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid

2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid (PubChem CID 11625836) has the molecular formula C17H12Cl2FNO4S and a molecular weight of 416.26 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
PubChem CID11625836
Molecular FormulaC17H12Cl2FNO4S
Molecular Weight416.26 g/mol
Exact Mass414.98
IUPAC Name2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2FNO4S/c1-9-12(8-17(22)23)13-7-11(20)3-5-15(13)21(9)26(24,25)16-6-10(18)2-4-14(16)19/h2-7H,8H2,1H3,(H,22,23)
InChIKeyDUFXUYDTVSRSQN-UHFFFAOYSA-N
XLogP4.26
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid (CID 11625836) is 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid?
The InChIKey is DUFXUYDTVSRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO4S/c1-9-12(8-17(22)23)13-7-11(20)3-5-15(13)21(9)26(24,25)16-6-10(18)2-4-14(16)19/h2-7H,8H2,1H3,(H,22,23).
What are the key properties of 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid?
2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid has a molecular weight of 416.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 11625836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).