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

C10H6BrCl2N3O2S — CID 1034231

IUPAC5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cn1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3O2S/c11-8-3-7(5-15-10(8)13)19(17,18)16-9-2-1-6(12)4-14-9/h1-5H,(H,14,16)
InChIKeyDJIRXHHPTVGHLW-UHFFFAOYSA-N
MW383.05 g/mol
LogP3.35
Rot. Bonds3

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

5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide (PubChem CID 1034231) has the molecular formula C10H6BrCl2N3O2S and a molecular weight of 383.05 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide
PubChem CID1034231
Molecular FormulaC10H6BrCl2N3O2S
Molecular Weight383.05 g/mol
Exact Mass380.87
IUPAC Name5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cn1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3O2S/c11-8-3-7(5-15-10(8)13)19(17,18)16-9-2-1-6(12)4-14-9/h1-5H,(H,14,16)
InChIKeyDJIRXHHPTVGHLW-UHFFFAOYSA-N
XLogP3.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.05
LogP ≤ 53.35
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-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide (CID 1034231) is 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cn1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is DJIRXHHPTVGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O2S/c11-8-3-7(5-15-10(8)13)19(17,18)16-9-2-1-6(12)4-14-9/h1-5H,(H,14,16).
What are the key properties of 5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 383.05 g/mol, XLogP of 3.35, 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-(5-chloro-2-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 1034231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).