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

C16H16N4O3S — CID 71723308

IUPAC4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(Cc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C16H16N4O3S/c1-23-14-6-4-13(5-7-14)16-11-20(19-18-16)10-12-2-8-15(9-3-12)24(17,21)22/h2-9,11H,10H2,1H3,(H2,17,21,22)
InChIKeyXRRZDXGYZQIPLT-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.65
Rot. Bonds5

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

4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide (PubChem CID 71723308) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
PubChem CID71723308
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(Cc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C16H16N4O3S/c1-23-14-6-4-13(5-7-14)16-11-20(19-18-16)10-12-2-8-15(9-3-12)24(17,21)22/h2-9,11H,10H2,1H3,(H2,17,21,22)
InChIKeyXRRZDXGYZQIPLT-UHFFFAOYSA-N
XLogP1.65
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723171
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
2-bromo-4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pyridine
CID 86680800
1-[2-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methyl]-2-methylbutyl]-4-(4-methoxyphenyl)triazole
CID 129192045
4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 72920855
1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)triazole
CID 129189733
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355888

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide (CID 71723308) is 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide is COc1ccc(-c2cn(Cc3ccc(S(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is XRRZDXGYZQIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-23-14-6-4-13(5-7-14)16-11-20(19-18-16)10-12-2-8-15(9-3-12)24(17,21)22/h2-9,11H,10H2,1H3,(H2,17,21,22).
What are the key properties of 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide?
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).