4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride

C8H8ClN3O3S — CID 165462950

IUPAC4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(-c2ccoc2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-2-12-7(6-3-4-15-5-6)10-11-8(12)16(9,13)14/h3-5H,2H2,1H3
InChIKeyCMVBXMYPQAGJLX-UHFFFAOYSA-N
MW261.69 g/mol
LogP1.49
Rot. Bonds3

About 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride

4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 165462950) has the molecular formula C8H8ClN3O3S and a molecular weight of 261.69 g/mol. Its IUPAC name is 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID165462950
Molecular FormulaC8H8ClN3O3S
Molecular Weight261.69 g/mol
Exact Mass261.00
IUPAC Name4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(-c2ccoc2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-2-12-7(6-3-4-15-5-6)10-11-8(12)16(9,13)14/h3-5H,2H2,1H3
InChIKeyCMVBXMYPQAGJLX-UHFFFAOYSA-N
XLogP1.49
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-chlorophenyl)sulfonylphenyl]-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 10048137
5-(3,5-dibromophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107976241
5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 165466245
5-(2,3-dimethylbutan-2-yl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 165487557
5-[4-(4-bromophenyl)sulfonylphenyl]-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 10434896
4-ethyl-5-(3-fluoro-5-methylphenyl)-1,2,4-triazole-3-sulfonamide
CID 113396095
5-(4-bromo-2-chlorophenyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 113366179
4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 106829481
4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103558706
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104786819
ethyl 4-(furan-3-yl)benzoate
CID 86071197
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
CID 82500246

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride (CID 165462950) is 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride is CCn1c(-c2ccoc2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is CMVBXMYPQAGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3S/c1-2-12-7(6-3-4-15-5-6)10-11-8(12)16(9,13)14/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride?
4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 261.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 165462950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).