1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole

C17H25N3O2S — CID 19818805

IUPAC1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnn2)c(C(C)C)c1
InChIInChI=1S/C17H25N3O2S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)23(21,22)20-8-7-18-19-20/h7-13H,1-6H3
InChIKeyFHFIGZZFZWTVEP-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.89
Rot. Bonds5

About 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole

1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole (PubChem CID 19818805) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole.

Molecular Properties

Compound Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole
PubChem CID19818805
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnn2)c(C(C)C)c1
InChIInChI=1S/C17H25N3O2S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)23(21,22)20-8-7-18-19-20/h7-13H,1-6H3
InChIKeyFHFIGZZFZWTVEP-UHFFFAOYSA-N
XLogP3.89
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole?
The IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole (CID 19818805) is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole.
What is the SMILES notation for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole?
The canonical SMILES for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole is CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnn2)c(C(C)C)c1.
What is the InChIKey of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole?
The InChIKey is FHFIGZZFZWTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)23(21,22)20-8-7-18-19-20/h7-13H,1-6H3.
What are the key properties of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole?
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole has a molecular weight of 335.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole is sourced from PubChem (CID 19818805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).