(4-sulfamoylphenyl)methyl pyridine-4-carboxylate

C13H12N2O4S — CID 4114283

IUPAC(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
SMILESNS(=O)(=O)c1ccc(COC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)12-3-1-10(2-4-12)9-19-13(16)11-5-7-15-8-6-11/h1-8H,9H2,(H2,14,17,18)
InChIKeyNKAJEZYSFNIGCE-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.09
Rot. Bonds4

About (4-sulfamoylphenyl)methyl pyridine-4-carboxylate

(4-sulfamoylphenyl)methyl pyridine-4-carboxylate (PubChem CID 4114283) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (4-sulfamoylphenyl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
PubChem CID4114283
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
SMILESNS(=O)(=O)c1ccc(COC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(17,18)12-3-1-10(2-4-12)9-19-13(16)11-5-7-15-8-6-11/h1-8H,9H2,(H2,14,17,18)
InChIKeyNKAJEZYSFNIGCE-UHFFFAOYSA-N
XLogP1.09
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
(4-sulfamoylphenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 11794202
hydroxymethyl pyridine-4-carboxylate
CID 139367391
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-sulfamoylbenzoate
CID 55499436
(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670152
pyridin-4-ylmethyl 4-(prop-2-enoylamino)benzoate
CID 166404376
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
butyl 4-sulfamoylbenzoate
CID 23274639

Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylphenyl)methyl pyridine-4-carboxylate?
The IUPAC name of (4-sulfamoylphenyl)methyl pyridine-4-carboxylate (CID 4114283) is (4-sulfamoylphenyl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (4-sulfamoylphenyl)methyl pyridine-4-carboxylate?
The canonical SMILES for (4-sulfamoylphenyl)methyl pyridine-4-carboxylate is NS(=O)(=O)c1ccc(COC(=O)c2ccncc2)cc1.
What is the InChIKey of (4-sulfamoylphenyl)methyl pyridine-4-carboxylate?
The InChIKey is NKAJEZYSFNIGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-20(17,18)12-3-1-10(2-4-12)9-19-13(16)11-5-7-15-8-6-11/h1-8H,9H2,(H2,14,17,18).
What are the key properties of (4-sulfamoylphenyl)methyl pyridine-4-carboxylate?
(4-sulfamoylphenyl)methyl pyridine-4-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylphenyl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 4114283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).