4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

C17H18N4O3S — CID 59531826

IUPAC4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCOCc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H18N4O3S/c1-24-12-16-19-17(11-13-5-3-2-4-6-13)21(20-16)14-7-9-15(10-8-14)25(18,22)23/h2-10H,11-12H2,1H3,(H2,18,22,23)
InChIKeyQHZCOALOPMABKJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.65
Rot. Bonds6

About 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 59531826) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID59531826
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCOCc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H18N4O3S/c1-24-12-16-19-17(11-13-5-3-2-4-6-13)21(20-16)14-7-9-15(10-8-14)25(18,22)23/h2-10H,11-12H2,1H3,(H2,18,22,23)
InChIKeyQHZCOALOPMABKJ-UHFFFAOYSA-N
XLogP1.65
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 59531826) is 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is COCc1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is QHZCOALOPMABKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-24-12-16-19-17(11-13-5-3-2-4-6-13)21(20-16)14-7-9-15(10-8-14)25(18,22)23/h2-10H,11-12H2,1H3,(H2,18,22,23).
What are the key properties of 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 59531826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).