4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride

C11H12ClN3O2S — CID 68756822

IUPAC4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
SMILESCl.Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C11H11N3O2S.ClH/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2,(H,13,14);1H
InChIKeyNTZPDQKPZCKRJL-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride

4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 68756822) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
PubChem CID68756822
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
SMILESCl.Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C11H11N3O2S.ClH/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2,(H,13,14);1H
InChIKeyNTZPDQKPZCKRJL-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
CID 131880907
CID 131880907
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
4-(2-methylcyclopropyl)-N-pyridin-2-ylbenzenesulfonamide
CID 142447089
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride (CID 68756822) is 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride is Cl.Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is NTZPDQKPZCKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S.ClH/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2,(H,13,14);1H.
What are the key properties of 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride?
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 285.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 68756822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).