5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride

C10H16FN3O2S — CID 165476771

IUPAC5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(C2CCCCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C10H16FN3O2S/c1-2-14-9(8-6-4-3-5-7-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3
InChIKeyLQQKWNGTHRSYRA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds3

About 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride

5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165476771) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165476771
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(C2CCCCC2)nnc1S(=O)(=O)F
InChIInChI=1S/C10H16FN3O2S/c1-2-14-9(8-6-4-3-5-7-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3
InChIKeyLQQKWNGTHRSYRA-UHFFFAOYSA-N
XLogP2.00
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165476771) is 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride is CCn1c(C2CCCCC2)nnc1S(=O)(=O)F.
What is the InChIKey of 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is LQQKWNGTHRSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-2-14-9(8-6-4-3-5-7-8)12-13-10(14)17(11,15)16/h8H,2-7H2,1H3.
What are the key properties of 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride?
5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 261.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165476771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).