5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide

C12H17ClN6O2S — CID 136574867

IUPAC5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2nncn2CC)cc1Cl
InChIInChI=1S/C12H17ClN6O2S/c1-3-14-12-10(13)5-9(6-15-12)22(20,21)17-7-11-18-16-8-19(11)4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOPNWCLOHWSTTAH-UHFFFAOYSA-N
MW344.83 g/mol
LogP1.26
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 136574867) has the molecular formula C12H17ClN6O2S and a molecular weight of 344.83 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID136574867
Molecular FormulaC12H17ClN6O2S
Molecular Weight344.83 g/mol
Exact Mass344.08
IUPAC Name5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2nncn2CC)cc1Cl
InChIInChI=1S/C12H17ClN6O2S/c1-3-14-12-10(13)5-9(6-15-12)22(20,21)17-7-11-18-16-8-19(11)4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOPNWCLOHWSTTAH-UHFFFAOYSA-N
XLogP1.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 126812606
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47064994
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-benzoxazole-5-sulfonamide
CID 126818073
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47318751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide (CID 136574867) is 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCc2nncn2CC)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is OPNWCLOHWSTTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O2S/c1-3-14-12-10(13)5-9(6-15-12)22(20,21)17-7-11-18-16-8-19(11)4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 344.83 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 136574867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).