4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide

C16H16N4O4S — CID 134146037

IUPAC4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
InChIKeyWZONQFASBANDEJ-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.50
Rot. Bonds6

About 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide

4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide (PubChem CID 134146037) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide
PubChem CID134146037
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
InChIKeyWZONQFASBANDEJ-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-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide (CID 134146037) is 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide is COc1ccc(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide?
The InChIKey is WZONQFASBANDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22).
What are the key properties of 4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide?
4-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]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-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 134146037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).