2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid

C15H20FNO5S — CID 146130959

IUPAC2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C)(F)C2)cc1CC(=O)O
InChIInChI=1S/C15H20FNO5S/c1-15(16)6-3-7-17(10-15)23(20,21)12-4-5-13(22-2)11(8-12)9-14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDCQRERXBZBSZJJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.84
Rot. Bonds5

About 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid

2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid (PubChem CID 146130959) has the molecular formula C15H20FNO5S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid
PubChem CID146130959
Molecular FormulaC15H20FNO5S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C)(F)C2)cc1CC(=O)O
InChIInChI=1S/C15H20FNO5S/c1-15(16)6-3-7-17(10-15)23(20,21)12-4-5-13(22-2)11(8-12)9-14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDCQRERXBZBSZJJ-UHFFFAOYSA-N
XLogP1.84
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[3-(2,2-difluorocyclopropyl)piperidin-1-yl]sulfonyl-2-methoxyphenyl]acetic acid
CID 166301828
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 136533171
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871388
ethyl 3-benzyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 45214940
(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135104842
2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686
1-[2-(2,5-dimethoxyphenyl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120688254
3-amino-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107324137
1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999272
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid (CID 146130959) is 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid is COc1ccc(S(=O)(=O)N2CCCC(C)(F)C2)cc1CC(=O)O.
What is the InChIKey of 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid?
The InChIKey is DCQRERXBZBSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO5S/c1-15(16)6-3-7-17(10-15)23(20,21)12-4-5-13(22-2)11(8-12)9-14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid?
2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid has a molecular weight of 345.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 146130959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).