2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid

C23H23NO6S — CID 139619035

IUPAC2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2(O)CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H23NO6S/c25-22(26)16-30-19-10-8-18(9-11-19)23(27)12-14-24(15-13-23)31(28,29)21-7-3-5-17-4-1-2-6-20(17)21/h1-11,27H,12-16H2,(H,25,26)
InChIKeyFOPGAFDIIMOSOS-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid

2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid (PubChem CID 139619035) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid
PubChem CID139619035
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2(O)CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H23NO6S/c25-22(26)16-30-19-10-8-18(9-11-19)23(27)12-14-24(15-13-23)31(28,29)21-7-3-5-17-4-1-2-6-20(17)21/h1-11,27H,12-16H2,(H,25,26)
InChIKeyFOPGAFDIIMOSOS-UHFFFAOYSA-N
XLogP2.98
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
naphthalene;2-phenoxyacetic acid
CID 175275275
4-bromo-3-(carboxymethoxy)-5-[3-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid
CID 68835559
cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 4021529
3-[4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenyl]propanoic acid
CID 139619054
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid (CID 139619035) is 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid is O=C(O)COc1ccc(C2(O)CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid?
The InChIKey is FOPGAFDIIMOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c25-22(26)16-30-19-10-8-18(9-11-19)23(27)12-14-24(15-13-23)31(28,29)21-7-3-5-17-4-1-2-6-20(17)21/h1-11,27H,12-16H2,(H,25,26).
What are the key properties of 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid?
2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid has a molecular weight of 441.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 139619035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).