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

C7H5ClN4O2S2 — CID 43456843

IUPAC2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccnc1Cl
InChIInChI=1S/C7H5ClN4O2S2/c8-6-5(2-1-3-9-6)16(13,14)12-7-11-10-4-15-7/h1-4H,(H,11,12)
InChIKeyXUYOORJEOSAHBN-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.39
Rot. Bonds3

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

2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 43456843) has the molecular formula C7H5ClN4O2S2 and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID43456843
Molecular FormulaC7H5ClN4O2S2
Molecular Weight276.73 g/mol
Exact Mass275.95
IUPAC Name2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccnc1Cl
InChIInChI=1S/C7H5ClN4O2S2/c8-6-5(2-1-3-9-6)16(13,14)12-7-11-10-4-15-7/h1-4H,(H,11,12)
InChIKeyXUYOORJEOSAHBN-UHFFFAOYSA-N
XLogP1.39
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.39
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 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 43456843) is 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nncs1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is XUYOORJEOSAHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S2/c8-6-5(2-1-3-9-6)16(13,14)12-7-11-10-4-15-7/h1-4H,(H,11,12).
What are the key properties of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 276.73 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 43456843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).