4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride

C10H10ClN3O2S — CID 54772055

IUPAC4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride
SMILESNS(=O)(=O)c1cnccc1-[n+]1ccccc1.[Cl-]
InChIInChI=1S/C10H10N3O2S.ClH/c11-16(14,15)10-8-12-5-4-9(10)13-6-2-1-3-7-13;/h1-8H,(H2,11,14,15);1H/q+1;/p-1
InChIKeyXCKRZQCCSZLBRX-UHFFFAOYSA-M
MW271.73 g/mol
LogP-2.99
Rot. Bonds2

About 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride

4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride (PubChem CID 54772055) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride.

Molecular Properties

Compound Name4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride
PubChem CID54772055
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride
SMILESNS(=O)(=O)c1cnccc1-[n+]1ccccc1.[Cl-]
InChIInChI=1S/C10H10N3O2S.ClH/c11-16(14,15)10-8-12-5-4-9(10)13-6-2-1-3-7-13;/h1-8H,(H2,11,14,15);1H/q+1;/p-1
InChIKeyXCKRZQCCSZLBRX-UHFFFAOYSA-M
XLogP-2.99
TPSA76.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 5-2.99
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-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride?
The IUPAC name of 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride (CID 54772055) is 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride.
What is the SMILES notation for 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride?
The canonical SMILES for 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride is NS(=O)(=O)c1cnccc1-[n+]1ccccc1.[Cl-].
What is the InChIKey of 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride?
The InChIKey is XCKRZQCCSZLBRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N3O2S.ClH/c11-16(14,15)10-8-12-5-4-9(10)13-6-2-1-3-7-13;/h1-8H,(H2,11,14,15);1H/q+1;/p-1.
What are the key properties of 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride?
4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride has a molecular weight of 271.73 g/mol, XLogP of -2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride is sourced from PubChem (CID 54772055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).