6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

C11H10ClN3O2S — CID 822442

IUPAC6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H10ClN3O2S/c12-11-4-3-10(8-14-11)18(16,17)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2
InChIKeyGRWJBZUBLRHTPW-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.61
Rot. Bonds4

About 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 822442) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID822442
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H10ClN3O2S/c12-11-4-3-10(8-14-11)18(16,17)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2
InChIKeyGRWJBZUBLRHTPW-UHFFFAOYSA-N
XLogP1.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.61
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 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (CID 822442) is 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is GRWJBZUBLRHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-11-4-3-10(8-14-11)18(16,17)15-7-9-2-1-5-13-6-9/h1-6,8,15H,7H2.
What are the key properties of 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 283.74 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 822442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).