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

C8H7ClN4O2S2 — CID 86675839

IUPAC6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C8H7ClN4O2S2/c1-5-11-12-8(16-5)13-17(14,15)6-2-3-7(9)10-4-6/h2-4H,1H3,(H,12,13)
InChIKeyAIAIJBJHJUVRHH-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.70
Rot. Bonds3

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

6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 86675839) has the molecular formula C8H7ClN4O2S2 and a molecular weight of 290.76 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID86675839
Molecular FormulaC8H7ClN4O2S2
Molecular Weight290.76 g/mol
Exact Mass289.97
IUPAC Name6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C8H7ClN4O2S2/c1-5-11-12-8(16-5)13-17(14,15)6-2-3-7(9)10-4-6/h2-4H,1H3,(H,12,13)
InChIKeyAIAIJBJHJUVRHH-UHFFFAOYSA-N
XLogP1.70
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.70
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 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 86675839) is 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(Cl)nc2)s1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is AIAIJBJHJUVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S2/c1-5-11-12-8(16-5)13-17(14,15)6-2-3-7(9)10-4-6/h2-4H,1H3,(H,12,13).
What are the key properties of 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 290.76 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 86675839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).