4-(pyridine-4-carbonylamino)benzenesulfonic acid

C12H10N2O4S — CID 25248911

IUPAC4-(pyridine-4-carbonylamino)benzenesulfonic acid
SMILESO=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccncc1
InChIInChI=1S/C12H10N2O4S/c15-12(9-5-7-13-8-6-9)14-10-1-3-11(4-2-10)19(16,17)18/h1-8H,(H,14,15)(H,16,17,18)
InChIKeyMJHQOMUFOZXJIT-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.58
Rot. Bonds3

About 4-(pyridine-4-carbonylamino)benzenesulfonic acid

4-(pyridine-4-carbonylamino)benzenesulfonic acid (PubChem CID 25248911) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(pyridine-4-carbonylamino)benzenesulfonic acid.

Molecular Properties

Compound Name4-(pyridine-4-carbonylamino)benzenesulfonic acid
PubChem CID25248911
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-(pyridine-4-carbonylamino)benzenesulfonic acid
SMILESO=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccncc1
InChIInChI=1S/C12H10N2O4S/c15-12(9-5-7-13-8-6-9)14-10-1-3-11(4-2-10)19(16,17)18/h1-8H,(H,14,15)(H,16,17,18)
InChIKeyMJHQOMUFOZXJIT-UHFFFAOYSA-N
XLogP1.58
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-[(3-acetylbenzoyl)amino]benzenesulfonic acid;deuteride
CID 158960511
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-4-carbonylamino)benzenesulfonic acid?
The IUPAC name of 4-(pyridine-4-carbonylamino)benzenesulfonic acid (CID 25248911) is 4-(pyridine-4-carbonylamino)benzenesulfonic acid.
What is the SMILES notation for 4-(pyridine-4-carbonylamino)benzenesulfonic acid?
The canonical SMILES for 4-(pyridine-4-carbonylamino)benzenesulfonic acid is O=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccncc1.
What is the InChIKey of 4-(pyridine-4-carbonylamino)benzenesulfonic acid?
The InChIKey is MJHQOMUFOZXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-12(9-5-7-13-8-6-9)14-10-1-3-11(4-2-10)19(16,17)18/h1-8H,(H,14,15)(H,16,17,18).
What are the key properties of 4-(pyridine-4-carbonylamino)benzenesulfonic acid?
4-(pyridine-4-carbonylamino)benzenesulfonic acid has a molecular weight of 278.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-4-carbonylamino)benzenesulfonic acid is sourced from PubChem (CID 25248911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).