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

C7H10ClF2N3O2S — CID 165466245

IUPAC5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(C(F)(F)CC)nnc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClF2N3O2S/c1-3-7(9,10)5-11-12-6(13(5)4-2)16(8,14)15/h3-4H2,1-2H3
InChIKeyWRUYOPIXTFSIDI-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.73
Rot. Bonds4

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

5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 165466245) has the molecular formula C7H10ClF2N3O2S and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
PubChem CID165466245
Molecular FormulaC7H10ClF2N3O2S
Molecular Weight273.69 g/mol
Exact Mass273.02
IUPAC Name5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(C(F)(F)CC)nnc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClF2N3O2S/c1-3-7(9,10)5-11-12-6(13(5)4-2)16(8,14)15/h3-4H2,1-2H3
InChIKeyWRUYOPIXTFSIDI-UHFFFAOYSA-N
XLogP1.73
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dimethylbutan-2-yl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 165487557
4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165466291
4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 106829481
5-(2-methylbutan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165488329
4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103558706
4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 165462950
4-cyclopropyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366092
4-(1,1-difluoropropyl)benzenesulfonyl chloride
CID 87189843
5-(2-methylbutan-2-yl)-4-phenyl-1,2,4-triazole-3-sulfonyl chloride
CID 113365995
3-(bromomethyl)-4-ethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole
CID 115399626
5-(1-methylsulfonylethyl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 104523111
4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride (CID 165466245) is 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride is CCn1c(C(F)(F)CC)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is WRUYOPIXTFSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N3O2S/c1-3-7(9,10)5-11-12-6(13(5)4-2)16(8,14)15/h3-4H2,1-2H3.
What are the key properties of 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride?
5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 273.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 165466245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).