4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride

C11H12ClN3O2S — CID 54772057

IUPAC4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride
SMILESCc1cccc[n+]1-c1ccncc1S(N)(=O)=O.[Cl-]
InChIInChI=1S/C11H12N3O2S.ClH/c1-9-4-2-3-7-14(9)10-5-6-13-8-11(10)17(12,15)16;/h2-8H,1H3,(H2,12,15,16);1H/q+1;/p-1
InChIKeyRKPWMFYLHXTOOQ-UHFFFAOYSA-M
MW285.76 g/mol
LogP-2.68
Rot. Bonds2

About 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride

4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride (PubChem CID 54772057) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride.

Molecular Properties

Compound Name4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride
PubChem CID54772057
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride
SMILESCc1cccc[n+]1-c1ccncc1S(N)(=O)=O.[Cl-]
InChIInChI=1S/C11H12N3O2S.ClH/c1-9-4-2-3-7-14(9)10-5-6-13-8-11(10)17(12,15)16;/h2-8H,1H3,(H2,12,15,16);1H/q+1;/p-1
InChIKeyRKPWMFYLHXTOOQ-UHFFFAOYSA-M
XLogP-2.68
TPSA76.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride?
The IUPAC name of 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride (CID 54772057) is 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride.
What is the SMILES notation for 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride?
The canonical SMILES for 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride is Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O.[Cl-].
What is the InChIKey of 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride?
The InChIKey is RKPWMFYLHXTOOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N3O2S.ClH/c1-9-4-2-3-7-14(9)10-5-6-13-8-11(10)17(12,15)16;/h2-8H,1H3,(H2,12,15,16);1H/q+1;/p-1.
What are the key properties of 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride?
4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride has a molecular weight of 285.76 g/mol, XLogP of -2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyridin-1-ium-1-yl)pyridine-3-sulfonamide chloride is sourced from PubChem (CID 54772057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).