4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole

C11H13N3O3S — CID 161324627

IUPAC4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole
SMILESCCS(=O)(=O)c1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C11H13N3O3S/c1-2-18(15,16)10-5-3-9(4-6-10)8-17-11-7-12-14-13-11/h3-7H,2,8H2,1H3,(H,12,13,14)
InChIKeyNTALXPBIEKOXLS-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.18
Rot. Bonds5

About 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole

4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole (PubChem CID 161324627) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole.

Molecular Properties

Compound Name4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole
PubChem CID161324627
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole
SMILESCCS(=O)(=O)c1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C11H13N3O3S/c1-2-18(15,16)10-5-3-9(4-6-10)8-17-11-7-12-14-13-11/h3-7H,2,8H2,1H3,(H,12,13,14)
InChIKeyNTALXPBIEKOXLS-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
4-(2H-triazol-4-yloxymethyl)benzonitrile
CID 155653521
2H-triazol-4-yl hypochlorite
CID 175307130
4-[2-(4-ethylsulfonylphenyl)butyl]-2H-triazole
CID 112717764
4-ethylsulfonyl-2H-triazole
CID 12894702
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
tetrakis(carbon dioxide);4-[[4-(3-chloro-4-methylphenyl)phenyl]methoxy]-2H-triazole;bis(4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole);4-[[4-(4-methylsulfinylphenyl)phenyl]methoxy]-2H-triazole
CID 176533052
N-(chloromethyl)-1-(4-ethylsulfonylphenyl)methanamine
CID 115263058
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
1-(2-ethylperoxyethyl)-4-ethylsulfonylbenzene
CID 87085296
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole?
The IUPAC name of 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole (CID 161324627) is 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole.
What is the SMILES notation for 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole?
The canonical SMILES for 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole is CCS(=O)(=O)c1ccc(COc2cn[nH]n2)cc1.
What is the InChIKey of 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole?
The InChIKey is NTALXPBIEKOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-18(15,16)10-5-3-9(4-6-10)8-17-11-7-12-14-13-11/h3-7H,2,8H2,1H3,(H,12,13,14).
What are the key properties of 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole?
4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole has a molecular weight of 267.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole is sourced from PubChem (CID 161324627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).