2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid

C13H13N3O4S — CID 114324429

IUPAC2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H13N3O4S/c14-21(19,20)12-4-2-1-3-11(12)16-8-10-7-9(13(17)18)5-6-15-10/h1-7,16H,8H2,(H,17,18)(H2,14,19,20)
InChIKeyZMGWXMSZTMELOD-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.04
Rot. Bonds5

About 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid

2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid (PubChem CID 114324429) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid
PubChem CID114324429
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H13N3O4S/c14-21(19,20)12-4-2-1-3-11(12)16-8-10-7-9(13(17)18)5-6-15-10/h1-7,16H,8H2,(H,17,18)(H2,14,19,20)
InChIKeyZMGWXMSZTMELOD-UHFFFAOYSA-N
XLogP1.04
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
CID 114111495
2-[(5-bromo-2-carbamoylanilino)methyl]pyridine-4-carboxylic acid
CID 114901152
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 114324590
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[(4-bromo-2-nitroanilino)methyl]pyridine-4-carboxylic acid
CID 114324427
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
2-[(prop-2-enylsulfonylamino)methyl]pyridine-4-carboxylic acid
CID 114324399
2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324375
2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide
CID 162394990
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(3-bromo-4-cyano-2-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 107532911

Frequently Asked Questions

What is the IUPAC name of 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid (CID 114324429) is 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid is NS(=O)(=O)c1ccccc1NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid?
The InChIKey is ZMGWXMSZTMELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c14-21(19,20)12-4-2-1-3-11(12)16-8-10-7-9(13(17)18)5-6-15-10/h1-7,16H,8H2,(H,17,18)(H2,14,19,20).
What are the key properties of 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid?
2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).