1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol

C13H14Cl2N4O3S — CID 75474688

IUPAC1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1
InChIInChI=1S/C13H14Cl2N4O3S/c1-8(20)13-7-19(17-16-13)9-5-18(6-9)23(21,22)10-2-3-11(14)12(15)4-10/h2-4,7-9,20H,5-6H2,1H3
InChIKeyLVDJUBHAALUTSB-UHFFFAOYSA-N
MW377.25 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol

1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol (PubChem CID 75474688) has the molecular formula C13H14Cl2N4O3S and a molecular weight of 377.25 g/mol. Its IUPAC name is 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol
PubChem CID75474688
Molecular FormulaC13H14Cl2N4O3S
Molecular Weight377.25 g/mol
Exact Mass376.02
IUPAC Name1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1
InChIInChI=1S/C13H14Cl2N4O3S/c1-8(20)13-7-19(17-16-13)9-5-18(6-9)23(21,22)10-2-3-11(14)12(15)4-10/h2-4,7-9,20H,5-6H2,1H3
InChIKeyLVDJUBHAALUTSB-UHFFFAOYSA-N
XLogP1.88
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol (CID 75474688) is 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol is CC(O)c1cn(C2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nn1.
What is the InChIKey of 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol?
The InChIKey is LVDJUBHAALUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3S/c1-8(20)13-7-19(17-16-13)9-5-18(6-9)23(21,22)10-2-3-11(14)12(15)4-10/h2-4,7-9,20H,5-6H2,1H3.
What are the key properties of 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol?
1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol has a molecular weight of 377.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 75474688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).