4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide

C16H16N4O4S — CID 134139228

IUPAC4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESCOc1cccc(-n2cc(COc3ccc(S(N)(=O)=O)cc3)nn2)c1
InChIInChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
InChIKeyAOYCUHMDFMAFLT-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.50
Rot. Bonds6

About 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide

4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide (PubChem CID 134139228) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
PubChem CID134139228
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESCOc1cccc(-n2cc(COc3ccc(S(N)(=O)=O)cc3)nn2)c1
InChIInChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
InChIKeyAOYCUHMDFMAFLT-UHFFFAOYSA-N
XLogP1.50
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The IUPAC name of 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide (CID 134139228) is 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The canonical SMILES for 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide is COc1cccc(-n2cc(COc3ccc(S(N)(=O)=O)cc3)nn2)c1.
What is the InChIKey of 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The InChIKey is AOYCUHMDFMAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22).
What are the key properties of 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 134139228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).