4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide

C16H16N4O4S — CID 10316466

IUPAC4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(OC)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N4O4S/c1-23-13-7-3-11(4-8-13)15-18-16(24-2)19-20(15)12-5-9-14(10-6-12)25(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyLLZQGDQZFDIKSU-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.60
Rot. Bonds5

About 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide

4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 10316466) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID10316466
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(OC)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N4O4S/c1-23-13-7-3-11(4-8-13)15-18-16(24-2)19-20(15)12-5-9-14(10-6-12)25(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyLLZQGDQZFDIKSU-UHFFFAOYSA-N
XLogP1.60
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 10316466) is 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide is COc1ccc(-c2nc(OC)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is LLZQGDQZFDIKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-23-13-7-3-11(4-8-13)15-18-16(24-2)19-20(15)12-5-9-14(10-6-12)25(17,21)22/h3-10H,1-2H3,(H2,17,21,22).
What are the key properties of 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10316466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).