5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide

C11H9BrClN3O2S — CID 1034221

IUPAC5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-14-10(4-7)16-19(17,18)8-5-9(12)11(13)15-6-8/h2-6H,1H3,(H,14,16)
InChIKeyRNRILTCDKAMZEO-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide (PubChem CID 1034221) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide
PubChem CID1034221
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-14-10(4-7)16-19(17,18)8-5-9(12)11(13)15-6-8/h2-6H,1H3,(H,14,16)
InChIKeyRNRILTCDKAMZEO-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide (CID 1034221) is 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide is Cc1ccnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is RNRILTCDKAMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-2-3-14-10(4-7)16-19(17,18)8-5-9(12)11(13)15-6-8/h2-6H,1H3,(H,14,16).
What are the key properties of 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 362.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 1034221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).