2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid

C15H14N2O6S — CID 155601036

IUPAC2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H14N2O6S/c18-12-4-1-5-13(14(12)15(19)20)23-10-8-17(9-10)24(21,22)11-3-2-6-16-7-11/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyCPHPBGWMTCKDGP-UHFFFAOYSA-N
MW350.35 g/mol
LogP0.94
Rot. Bonds5

About 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid

2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid (PubChem CID 155601036) has the molecular formula C15H14N2O6S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
PubChem CID155601036
Molecular FormulaC15H14N2O6S
Molecular Weight350.35 g/mol
Exact Mass350.06
IUPAC Name2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
SMILESO=C(O)c1c(O)cccc1OC1CN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C15H14N2O6S/c18-12-4-1-5-13(14(12)15(19)20)23-10-8-17(9-10)24(21,22)11-3-2-6-16-7-11/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyCPHPBGWMTCKDGP-UHFFFAOYSA-N
XLogP0.94
TPSA117.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-boronoethyl)-2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
CID 152549194
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122247345
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
CID 155601035
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid?
The IUPAC name of 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid (CID 155601036) is 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid?
The canonical SMILES for 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid is O=C(O)c1c(O)cccc1OC1CN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid?
The InChIKey is CPHPBGWMTCKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6S/c18-12-4-1-5-13(14(12)15(19)20)23-10-8-17(9-10)24(21,22)11-3-2-6-16-7-11/h1-7,10,18H,8-9H2,(H,19,20).
What are the key properties of 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid?
2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid has a molecular weight of 350.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 155601036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).