5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide

C8H9ClN6O2S2 — CID 114914138

IUPAC5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2nnns2)cc1Cl
InChIInChI=1S/C8H9ClN6O2S2/c1-2-10-7-6(9)3-5(4-11-7)19(16,17)13-8-12-14-15-18-8/h3-4H,2H2,1H3,(H,10,11)(H,12,13,15)
InChIKeyKGHZLAIUBZVMEC-UHFFFAOYSA-N
MW320.79 g/mol
LogP1.21
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide (PubChem CID 114914138) has the molecular formula C8H9ClN6O2S2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
PubChem CID114914138
Molecular FormulaC8H9ClN6O2S2
Molecular Weight320.79 g/mol
Exact Mass319.99
IUPAC Name5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2nnns2)cc1Cl
InChIInChI=1S/C8H9ClN6O2S2/c1-2-10-7-6(9)3-5(4-11-7)19(16,17)13-8-12-14-15-18-8/h3-4H,2H2,1H3,(H,10,11)(H,12,13,15)
InChIKeyKGHZLAIUBZVMEC-UHFFFAOYSA-N
XLogP1.21
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 64600101
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451
5-chloro-6-(ethylamino)-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64600545
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64601724
5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 136574867
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide (CID 114914138) is 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2nnns2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is KGHZLAIUBZVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6O2S2/c1-2-10-7-6(9)3-5(4-11-7)19(16,17)13-8-12-14-15-18-8/h3-4H,2H2,1H3,(H,10,11)(H,12,13,15).
What are the key properties of 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 320.79 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114914138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).