2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid

C23H22FNO5S — CID 46205202

IUPAC2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C23H22FNO5S/c24-18-7-6-17-12-16(14-23(26)27)13-22(21(17)15-18)30-19-8-10-25(11-9-19)31(28,29)20-4-2-1-3-5-20/h1-7,12-13,15,19H,8-11,14H2,(H,26,27)
InChIKeyTZOBIVXWWNIYDA-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid

2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid (PubChem CID 46205202) has the molecular formula C23H22FNO5S and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
PubChem CID46205202
Molecular FormulaC23H22FNO5S
Molecular Weight443.50 g/mol
Exact Mass443.12
IUPAC Name2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C23H22FNO5S/c24-18-7-6-17-12-16(14-23(26)27)13-22(21(17)15-18)30-19-8-10-25(11-9-19)31(28,29)20-4-2-1-3-5-20/h1-7,12-13,15,19H,8-11,14H2,(H,26,27)
InChIKeyTZOBIVXWWNIYDA-UHFFFAOYSA-N
XLogP3.84
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-fluoro-2-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]propanoic acid
CID 134135732
2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
CID 24863183
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517
1-[4-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 90617002
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine
CID 90617004
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
(2-fluorophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 78777102
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
CID 63876850
methyl 2-[4-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-6-fluoronaphthalen-2-yl]acetate
CID 86686901
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
CID 91918358
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid (CID 46205202) is 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid is O=C(O)Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(F)ccc2c1.
What is the InChIKey of 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The InChIKey is TZOBIVXWWNIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5S/c24-18-7-6-17-12-16(14-23(26)27)13-22(21(17)15-18)30-19-8-10-25(11-9-19)31(28,29)20-4-2-1-3-5-20/h1-7,12-13,15,19H,8-11,14H2,(H,26,27).
What are the key properties of 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid has a molecular weight of 443.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 46205202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).