2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid

C16H14FNO4S — CID 56806401

IUPAC2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C16H14FNO4S/c17-12-4-3-5-13(9-12)23(21,22)18-10-11(8-16(19)20)14-6-1-2-7-15(14)18/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyNFQVDAMOPVZZHH-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid

2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 56806401) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
PubChem CID56806401
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C16H14FNO4S/c17-12-4-3-5-13(9-12)23(21,22)18-10-11(8-16(19)20)14-6-1-2-7-15(14)18/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyNFQVDAMOPVZZHH-UHFFFAOYSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl]acetic acid
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CID 56793540
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US12384753, Example 12
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3-[4-[(6-Fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
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2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid
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5-fluoro-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid (CID 56806401) is 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is NFQVDAMOPVZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-12-4-3-5-13(9-12)23(21,22)18-10-11(8-16(19)20)14-6-1-2-7-15(14)18/h1-7,9,11H,8,10H2,(H,19,20).
What are the key properties of 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 56806401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).