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

C11H8N4O2S3 — CID 71970105

IUPACN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccnc1
InChIInChI=1S/C11H8N4O2S3/c16-20(17,9-2-1-4-12-6-9)15-11-14-13-10(19-11)8-3-5-18-7-8/h1-7H,(H,14,15)
InChIKeyHVRRWOYVBXNBSE-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.46
Rot. Bonds4

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

N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 71970105) has the molecular formula C11H8N4O2S3 and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID71970105
Molecular FormulaC11H8N4O2S3
Molecular Weight324.41 g/mol
Exact Mass323.98
IUPAC NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccnc1
InChIInChI=1S/C11H8N4O2S3/c16-20(17,9-2-1-4-12-6-9)15-11-14-13-10(19-11)8-3-5-18-7-8/h1-7H,(H,14,15)
InChIKeyHVRRWOYVBXNBSE-UHFFFAOYSA-N
XLogP2.46
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 71970105) is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccnc1.
What is the InChIKey of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is HVRRWOYVBXNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S3/c16-20(17,9-2-1-4-12-6-9)15-11-14-13-10(19-11)8-3-5-18-7-8/h1-7H,(H,14,15).
What are the key properties of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71970105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).