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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Related Compounds

PS-13 C-11
CID 138320044
Asp-6537
CID 9922739
3-(4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-5-amine
CID 895491
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4969622
N-(4-methoxyphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645138
1-[5-(4-Methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]-3-phenylurea
CID 118721483
3-[Dideuterio(fluoro)methoxy]-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 168283012
3-(111C)methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 168287004
4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 137119525
N-Cyclopentyl-N-(4-methoxy-benzyl)-4-tetrazol-1-yl-benzenesulfonamide
CID 647199
4-[3-(2-Hydroxy-4-methoxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 162657303
4-({[5-(1-Ethyl(1,2,3,4-tetraazol-5-yl))-2-methoxyphenyl]sulfonyl}amino)benzen esulfonamide
CID 2150158

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).