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

C15H14N4O3S — CID 25071014

IUPAC4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-6-2-11(3-7-13)15-10-19(18-17-15)12-4-8-14(9-5-12)23(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeyLSCBKQOZIVXZJF-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.59
Rot. Bonds4

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

4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide (PubChem CID 25071014) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide
PubChem CID25071014
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-13-6-2-11(3-7-13)15-10-19(18-17-15)12-4-8-14(9-5-12)23(16,20)21/h2-10H,1H3,(H2,16,20,21)
InChIKeyLSCBKQOZIVXZJF-UHFFFAOYSA-N
XLogP1.59
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Apricoxib
CID 9820073
4-[4-(Phenoxymethyl)triazol-1-yl]benzenesulfonamide
CID 129009671
[4-[1-(3,5-Difluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 151462704
N-hydroxy-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 45280173
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
4-[2-[1-(2-Methoxyphenyl)triazol-4-yl]phenyl]sulfonylaniline
CID 129907810
[4-[1-(3-Fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655
4-fluoro-N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809600
N-(4-methoxybenzyl)-4-methyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809788
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577575

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide (CID 25071014) is 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide is COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is LSCBKQOZIVXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-22-13-6-2-11(3-7-13)15-10-19(18-17-15)12-4-8-14(9-5-12)23(16,20)21/h2-10H,1H3,(H2,16,20,21).
What are the key properties of 4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide?
4-[4-(4-methoxyphenyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.59, 4 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]benzenesulfonamide is sourced from PubChem (CID 25071014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).