4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride

C12H11ClFN3O2S — CID 113366068

IUPAC4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCc1cccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c1F
InChIInChI=1S/C12H11ClFN3O2S/c1-7-3-2-4-9(10(7)14)11-15-16-12(20(13,18)19)17(11)8-5-6-8/h2-4,8H,5-6H2,1H3
InChIKeyYJJCTTZKSBWGFT-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.66
Rot. Bonds3

About 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride

4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 113366068) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID113366068
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCc1cccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c1F
InChIInChI=1S/C12H11ClFN3O2S/c1-7-3-2-4-9(10(7)14)11-15-16-12(20(13,18)19)17(11)8-5-6-8/h2-4,8H,5-6H2,1H3
InChIKeyYJJCTTZKSBWGFT-UHFFFAOYSA-N
XLogP2.66
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 113301958
4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 104673265
4-cyclopropyl-5-(2,4-dibromophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944168
4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366071
5-(2,3-dimethylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366057
4-cyclopropyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366092
4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile
CID 71861082
4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366072
4-cyclopropyl-3-(2-fluorophenyl)-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
CID 51142856
4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonamide
CID 113366348
3-(bromomethyl)-5-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 115399287
[4-cyclopropyl-5-(3-methyl-2-nitrophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396283

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride (CID 113366068) is 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride is Cc1cccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is YJJCTTZKSBWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-7-3-2-4-9(10(7)14)11-15-16-12(20(13,18)19)17(11)8-5-6-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride?
4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 315.76 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 113366068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).