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

C12H10N2O5S — CID 81443465

IUPAC3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C12H10N2O5S/c13-20(17,18)9-3-1-8(2-4-9)19-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)(H2,13,17,18)
InChIKeyNMQGHPQWVQUUEV-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.22
Rot. Bonds4

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

3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid (PubChem CID 81443465) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
PubChem CID81443465
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C12H10N2O5S/c13-20(17,18)9-3-1-8(2-4-9)19-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)(H2,13,17,18)
InChIKeyNMQGHPQWVQUUEV-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

3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128

Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid (CID 81443465) is 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid is NS(=O)(=O)c1ccc(Oc2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is NMQGHPQWVQUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c13-20(17,18)9-3-1-8(2-4-9)19-11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)(H2,13,17,18).
What are the key properties of 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid?
3-(4-sulfamoylphenoxy)pyridine-4-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 3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 81443465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).