5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid

C12H10N2O5S — CID 63852234

IUPAC5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C12H10N2O5S/c13-20(17,18)11-3-1-9(2-4-11)19-10-5-8(12(15)16)6-14-7-10/h1-7H,(H,15,16)(H2,13,17,18)
InChIKeyIMTPCZKTCRKBDC-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.22
Rot. Bonds4

About 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid

5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid (PubChem CID 63852234) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
PubChem CID63852234
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C12H10N2O5S/c13-20(17,18)11-3-1-9(2-4-11)19-10-5-8(12(15)16)6-14-7-10/h1-7H,(H,15,16)(H2,13,17,18)
InChIKeyIMTPCZKTCRKBDC-UHFFFAOYSA-N
XLogP1.22
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
CID 173009795
CID 173009795
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
3-methylsulfonyl-4-(4-sulfamoylphenoxy)benzoic acid
CID 18788755
5-pyridazin-3-yloxypyridine-3-carboxylic acid
CID 63850700
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
5-formyloxypyridine-3-carboxylic acid
CID 153455132
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419

Frequently Asked Questions

What is the IUPAC name of 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid (CID 63852234) is 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid is NS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is IMTPCZKTCRKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c13-20(17,18)11-3-1-9(2-4-11)19-10-5-8(12(15)16)6-14-7-10/h1-7H,(H,15,16)(H2,13,17,18).
What are the key properties of 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid?
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).