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

C11H18ClN3O2S — CID 106829481

IUPAC4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(C2(C)CCCCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C11H18ClN3O2S/c1-3-15-9(11(2)7-5-4-6-8-11)13-14-10(15)18(12,16)17/h3-8H2,1-2H3
InChIKeyKZDNHECFDYYHKT-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.45
Rot. Bonds3

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

4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 106829481) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID106829481
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(C2(C)CCCCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C11H18ClN3O2S/c1-3-15-9(11(2)7-5-4-6-8-11)13-14-10(15)18(12,16)17/h3-8H2,1-2H3
InChIKeyKZDNHECFDYYHKT-UHFFFAOYSA-N
XLogP2.45
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-5-(1-methylcyclopentyl)-1,2,4-triazol-3-yl]methanol
CID 115396722
2-[[4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106827820
4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103558706
3-(chloromethyl)-5-(1-methylcyclohexyl)-4-propyl-1,2,4-triazole
CID 106829442
3-(bromomethyl)-5-(1-methylcyclohexyl)-4-propyl-1,2,4-triazole
CID 106829449
5-(1,1-difluoropropyl)-4-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 165466245
4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione
CID 115389531
3-(bromomethyl)-5-(1-methylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 106829451
4-ethyl-5-(furan-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 165462950
4-ethyl-3-methyl-5-[(1-methylcyclohexyl)methylsulfonylmethyl]-1,2,4-triazole
CID 128597566
5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165476771
3-(chloromethyl)-5-(1-methylcyclopentyl)-4-propan-2-yl-1,2,4-triazole
CID 115397580

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride (CID 106829481) is 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride is CCn1c(C2(C)CCCCC2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is KZDNHECFDYYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-3-15-9(11(2)7-5-4-6-8-11)13-14-10(15)18(12,16)17/h3-8H2,1-2H3.
What are the key properties of 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 291.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 106829481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).