2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid

C17H15FO4S — CID 102570368

IUPAC2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)C2C(C(=O)O)C2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO4S/c1-10-5-7-13(8-6-10)23(21,22)16-14(15(16)17(19)20)11-3-2-4-12(18)9-11/h2-9,14-16H,1H3,(H,19,20)
InChIKeyPPMNETJDCJRQOI-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid

2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid (PubChem CID 102570368) has the molecular formula C17H15FO4S and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
PubChem CID102570368
Molecular FormulaC17H15FO4S
Molecular Weight334.37 g/mol
Exact Mass334.07
IUPAC Name2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)C2C(C(=O)O)C2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO4S/c1-10-5-7-13(8-6-10)23(21,22)16-14(15(16)17(19)20)11-3-2-4-12(18)9-11/h2-9,14-16H,1H3,(H,19,20)
InChIKeyPPMNETJDCJRQOI-UHFFFAOYSA-N
XLogP2.77
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 102570935
(1S,2R,3S)-2-(benzenesulfonyl)-3-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 124858625
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1-carbothioamide
CID 99996969
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605
(1R,2R,3R)-2-(3-fluorophenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124675684
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124744999
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
(1R,2S,3R)-2-(3-fluorophenyl)-1-formyl-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124747386
ethyl (1R,2R,3R)-1-(aminomethyl)-2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 124746247
tert-butyl N-[2-(3-fluorophenyl)-1-formyl-3-(4-methylphenyl)sulfonylcyclopropyl]carbamate
CID 102571023

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid (CID 102570368) is 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid is Cc1ccc(S(=O)(=O)C2C(C(=O)O)C2c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid?
The InChIKey is PPMNETJDCJRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO4S/c1-10-5-7-13(8-6-10)23(21,22)16-14(15(16)17(19)20)11-3-2-4-12(18)9-11/h2-9,14-16H,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid?
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 102570368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).