2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid

C14H18FNO6S — CID 166296939

IUPAC2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
SMILESCOCC1(F)CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H18FNO6S/c1-21-10-14(15)6-7-16(9-14)23(19,20)12-4-2-11(3-5-12)22-8-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyVTQQFVCZMOPBPO-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.90
Rot. Bonds7

About 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid

2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid (PubChem CID 166296939) has the molecular formula C14H18FNO6S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
PubChem CID166296939
Molecular FormulaC14H18FNO6S
Molecular Weight347.36 g/mol
Exact Mass347.08
IUPAC Name2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
SMILESCOCC1(F)CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H18FNO6S/c1-21-10-14(15)6-7-16(9-14)23(19,20)12-4-2-11(3-5-12)22-8-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyVTQQFVCZMOPBPO-UHFFFAOYSA-N
XLogP0.90
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-fluoro-3-methylazetidin-1-yl)sulfonylphenoxy]acetic acid
CID 136570722
2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405
2-[4-[3-(difluoromethoxy)azetidin-1-yl]sulfonylphenoxy]acetic acid
CID 146129203
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
methyl 4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate
CID 110799109
4-(3,3-difluoropyrrolidin-1-yl)sulfonylbenzoic acid
CID 138453425
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
2-[4-(2-cyano-3,3-dimethylpiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 154805285
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid?
The IUPAC name of 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid (CID 166296939) is 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid is COCC1(F)CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid?
The InChIKey is VTQQFVCZMOPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO6S/c1-21-10-14(15)6-7-16(9-14)23(19,20)12-4-2-11(3-5-12)22-8-13(17)18/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid?
2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid has a molecular weight of 347.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid is sourced from PubChem (CID 166296939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).