5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

C7H4Cl2N4O2S2 — CID 64624994

IUPAC5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2N4O2S2/c8-5-1-4(2-10-6(5)9)17(14,15)13-7-12-11-3-16-7/h1-3H,(H,12,13)
InChIKeyPXUIXGCEBMVIBO-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.04
Rot. Bonds3

About 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 64624994) has the molecular formula C7H4Cl2N4O2S2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID64624994
Molecular FormulaC7H4Cl2N4O2S2
Molecular Weight311.18 g/mol
Exact Mass309.92
IUPAC Name5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2N4O2S2/c8-5-1-4(2-10-6(5)9)17(14,15)13-7-12-11-3-16-7/h1-3H,(H,12,13)
InChIKeyPXUIXGCEBMVIBO-UHFFFAOYSA-N
XLogP2.04
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 64624994) is 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nncs1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is PXUIXGCEBMVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4O2S2/c8-5-1-4(2-10-6(5)9)17(14,15)13-7-12-11-3-16-7/h1-3H,(H,12,13).
What are the key properties of 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 311.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64624994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).