1-(4-methoxyphenyl)sulfonylbenzotriazole

C13H11N3O3S — CID 809743

IUPAC1-(4-methoxyphenyl)sulfonylbenzotriazole
SMILESCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O3S/c1-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3
InChIKeyIPKORNRJLQCQNO-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonylbenzotriazole

1-(4-methoxyphenyl)sulfonylbenzotriazole (PubChem CID 809743) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylbenzotriazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylbenzotriazole
PubChem CID809743
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name1-(4-methoxyphenyl)sulfonylbenzotriazole
SMILESCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O3S/c1-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3
InChIKeyIPKORNRJLQCQNO-UHFFFAOYSA-N
XLogP1.68
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 686857
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole
CID 3155690
1-(5-Chloro-2-methoxyphenyl)sulfonylbenzotriazole
CID 652615
1-(2,5-Dimethoxyphenyl)sulfonylbenzotriazole
CID 778392
1-(4-Ethoxy-3-methylphenyl)sulfonylbenzotriazole
CID 935119
1-[(5-chloro-2-ethoxyphenyl)sulfonyl]-1H-1,2,3-benzotriazole
CID 976825
5-Chloro-1-(2,5-dimethoxyphenyl)sulfonylbenzotriazole
CID 1254653
1-[(2,5-dimethyl-4-propoxyphenyl)sulfonyl]-1H-benzotriazole
CID 2222367
2-(4-Methoxyphenyl)benzotriazole
CID 658624
1-(4-Methoxy-2,5-dimethylphenyl)sulfonylbenzotriazole
CID 802795
1-(5-Iodo-2-methoxyphenyl)sulfonylbenzotriazole
CID 1335939
1-(2-Methoxy-4,5-dimethylphenyl)sulfonylbenzotriazole
CID 2921933

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylbenzotriazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylbenzotriazole (CID 809743) is 1-(4-methoxyphenyl)sulfonylbenzotriazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylbenzotriazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylbenzotriazole is COc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylbenzotriazole?
The InChIKey is IPKORNRJLQCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonylbenzotriazole?
1-(4-methoxyphenyl)sulfonylbenzotriazole has a molecular weight of 289.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylbenzotriazole is sourced from PubChem (CID 809743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).