2-(2-fluoropropylsulfonyl)benzoic acid

C10H11FO4S — CID 84705661

IUPAC2-(2-fluoropropylsulfonyl)benzoic acid
SMILESCC(F)CS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11FO4S/c1-7(11)6-16(14,15)9-5-3-2-4-8(9)10(12)13/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyHLIYOEZAHOBMKG-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-fluoropropylsulfonyl)benzoic acid

2-(2-fluoropropylsulfonyl)benzoic acid (PubChem CID 84705661) has the molecular formula C10H11FO4S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(2-fluoropropylsulfonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-fluoropropylsulfonyl)benzoic acid
PubChem CID84705661
Molecular FormulaC10H11FO4S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name2-(2-fluoropropylsulfonyl)benzoic acid
SMILESCC(F)CS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11FO4S/c1-7(11)6-16(14,15)9-5-3-2-4-8(9)10(12)13/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyHLIYOEZAHOBMKG-UHFFFAOYSA-N
XLogP1.52
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-cyclopropyl-2-methylsulfanylethyl]sulfonylbenzoic acid
CID 68742060
2-benzylsulfonylbenzoic acid
CID 561426
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 24703260
2-[2-(2-methylpropylsulfonyl)phenyl]acetic acid
CID 70531745
2-(3-hydroxypropylsulfonyl)benzoic acid
CID 66878034
2-[(4-bromophenyl)methylsulfonyl]benzoic acid
CID 13379043
2-(3-amino-3-oxopropyl)sulfonylbenzoic acid
CID 43152539
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
2-(fluorosulfamoyl)benzoic acid
CID 87516154
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfonyl]benzoic acid
CID 162788168
2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117020

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropylsulfonyl)benzoic acid?
The IUPAC name of 2-(2-fluoropropylsulfonyl)benzoic acid (CID 84705661) is 2-(2-fluoropropylsulfonyl)benzoic acid.
What is the SMILES notation for 2-(2-fluoropropylsulfonyl)benzoic acid?
The canonical SMILES for 2-(2-fluoropropylsulfonyl)benzoic acid is CC(F)CS(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-fluoropropylsulfonyl)benzoic acid?
The InChIKey is HLIYOEZAHOBMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4S/c1-7(11)6-16(14,15)9-5-3-2-4-8(9)10(12)13/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoropropylsulfonyl)benzoic acid?
2-(2-fluoropropylsulfonyl)benzoic acid has a molecular weight of 246.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropylsulfonyl)benzoic acid is sourced from PubChem (CID 84705661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).