[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol

C16H15N3O4S — CID 164807043

IUPAC[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol
SMILESCOc1ccc(-c2ncn(S(=O)(=O)c3ccc(CO)cc3)n2)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-14-6-4-13(5-7-14)16-17-11-19(18-16)24(21,22)15-8-2-12(10-20)3-9-15/h2-9,11,20H,10H2,1H3
InChIKeyVHYJIOHCVAMNRE-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.68
Rot. Bonds5

About [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol

[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol (PubChem CID 164807043) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol
PubChem CID164807043
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol
SMILESCOc1ccc(-c2ncn(S(=O)(=O)c3ccc(CO)cc3)n2)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-14-6-4-13(5-7-14)16-17-11-19(18-16)24(21,22)15-8-2-12(10-20)3-9-15/h2-9,11,20H,10H2,1H3
InChIKeyVHYJIOHCVAMNRE-UHFFFAOYSA-N
XLogP1.68
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol?
The IUPAC name of [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol (CID 164807043) is [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol is COc1ccc(-c2ncn(S(=O)(=O)c3ccc(CO)cc3)n2)cc1.
What is the InChIKey of [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol?
The InChIKey is VHYJIOHCVAMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-23-14-6-4-13(5-7-14)16-17-11-19(18-16)24(21,22)15-8-2-12(10-20)3-9-15/h2-9,11,20H,10H2,1H3.
What are the key properties of [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol?
[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol has a molecular weight of 345.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol is sourced from PubChem (CID 164807043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).