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

C8H5N5O2S2 — CID 106595521

IUPAC2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C8H5N5O2S2/c9-4-6-7(2-1-3-10-6)17(14,15)13-8-12-11-5-16-8/h1-3,5H,(H,12,13)
InChIKeyCIDLZLDOWHMFEQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.61
Rot. Bonds3

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

2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 106595521) has the molecular formula C8H5N5O2S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID106595521
Molecular FormulaC8H5N5O2S2
Molecular Weight267.30 g/mol
Exact Mass266.99
IUPAC Name2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C8H5N5O2S2/c9-4-6-7(2-1-3-10-6)17(14,15)13-8-12-11-5-16-8/h1-3,5H,(H,12,13)
InChIKeyCIDLZLDOWHMFEQ-UHFFFAOYSA-N
XLogP0.61
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-Pyridin-1-ium-1-ylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide perchlorate
CID 118731312
1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde thiosemicarbazone
CID 10870565
pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamide
CID 129823871
3-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858213
4-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858215
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476459
3-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 103299156
5-[(4-Pyridin-1-ium-1-ylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 118731313
N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonohydrazide
CID 67313707
[[1-(Benzenesulfonyl)pyrrol-2-yl]methylideneamino]thiourea
CID 85296135
N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfinamide
CID 141061607
ethane;6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfinamide
CID 144215831

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 106595521) is 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is CIDLZLDOWHMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2S2/c9-4-6-7(2-1-3-10-6)17(14,15)13-8-12-11-5-16-8/h1-3,5H,(H,12,13).
What are the key properties of 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 267.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106595521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).