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

C12H18ClN3O2S — CID 113366072

IUPAC4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCC1CCC(c2nnc(S(=O)(=O)Cl)n2C2CC2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8-2-4-9(5-3-8)11-14-15-12(19(13,17)18)16(11)10-6-7-10/h8-10H,2-7H2,1H3
InChIKeyOGQVPLRZKGMZEX-UHFFFAOYSA-N
MW303.82 g/mol
LogP2.83
Rot. Bonds3

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

4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 113366072) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID113366072
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCC1CCC(c2nnc(S(=O)(=O)Cl)n2C2CC2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8-2-4-9(5-3-8)11-14-15-12(19(13,17)18)16(11)10-6-7-10/h8-10H,2-7H2,1H3
InChIKeyOGQVPLRZKGMZEX-UHFFFAOYSA-N
XLogP2.83
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dicyclopropyl-1,2,4-triazole
CID 63384839
4-cyclopropyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366092
4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 104673265
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N-methylpropane-1-sulfonamide
CID 86787260
4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366068
5-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366052
4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167663
4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366071
4-cyclopropyl-5-(2,4-dibromophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944168
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 47075896
3-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)thietane 1,1-dioxide
CID 130935303
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide
CID 46682350

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride (CID 113366072) is 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride is CC1CCC(c2nnc(S(=O)(=O)Cl)n2C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is OGQVPLRZKGMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-8-2-4-9(5-3-8)11-14-15-12(19(13,17)18)16(11)10-6-7-10/h8-10H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride?
4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 303.82 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 113366072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).