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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Related Compounds

1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618221
ethane;(1S)-1-[1-(3-methylcyclobutyl)triazol-4-yl]ethanol
CID 159612696
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
CID 121190319
[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol
CID 114551610
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
(3S,3aS,6aR)-5-(3-chloro-4-fluorophenyl)sulfonyl-N,N-dimethyl-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 154821227
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
2-[1-(3-bromo-4-chlorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 106605652

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).