4-(pyridine-4-carbonyl)benzenesulfonamide

C12H10N2O3S — CID 23274879

IUPAC4-(pyridine-4-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C12H10N2O3S/c13-18(16,17)11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H,(H2,13,16,17)
InChIKeyZEYQHIWFLZKGHJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.96
Rot. Bonds3

About 4-(pyridine-4-carbonyl)benzenesulfonamide

4-(pyridine-4-carbonyl)benzenesulfonamide (PubChem CID 23274879) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(pyridine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(pyridine-4-carbonyl)benzenesulfonamide
PubChem CID23274879
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-(pyridine-4-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C12H10N2O3S/c13-18(16,17)11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H,(H2,13,16,17)
InChIKeyZEYQHIWFLZKGHJ-UHFFFAOYSA-N
XLogP0.96
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
4-benzoylbenzenesulfonamide
CID 70209200
(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
CID 4114283
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
4-sulfamoylbenzoyl iodide
CID 88945846
potassium 4-sulfamoylbenzoate
CID 23684074
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
4-propanoylbenzenesulfonamide
CID 70209431
(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 132984944
lithium;pyridine-4-carboxylate;dihydrate
CID 172830071

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(pyridine-4-carbonyl)benzenesulfonamide (CID 23274879) is 4-(pyridine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(pyridine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(pyridine-4-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)c2ccncc2)cc1.
What is the InChIKey of 4-(pyridine-4-carbonyl)benzenesulfonamide?
The InChIKey is ZEYQHIWFLZKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-18(16,17)11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H,(H2,13,16,17).
What are the key properties of 4-(pyridine-4-carbonyl)benzenesulfonamide?
4-(pyridine-4-carbonyl)benzenesulfonamide has a molecular weight of 262.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 23274879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).