1-thiophen-2-ylsulfonylbenzotriazole

C10H7N3O2S2 — CID 3812340

IUPAC1-thiophen-2-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1cccs1)n1nnc2ccccc21
InChIInChI=1S/C10H7N3O2S2/c14-17(15,10-6-3-7-16-10)13-9-5-2-1-4-8(9)11-12-13/h1-7H
InChIKeyLIOONDNEXQNNPQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.73
Rot. Bonds2

About 1-thiophen-2-ylsulfonylbenzotriazole

1-thiophen-2-ylsulfonylbenzotriazole (PubChem CID 3812340) has the molecular formula C10H7N3O2S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylbenzotriazole.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylbenzotriazole
PubChem CID3812340
Molecular FormulaC10H7N3O2S2
Molecular Weight265.32 g/mol
Exact Mass265.00
IUPAC Name1-thiophen-2-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1cccs1)n1nnc2ccccc21
InChIInChI=1S/C10H7N3O2S2/c14-17(15,10-6-3-7-16-10)13-9-5-2-1-4-8(9)11-12-13/h1-7H
InChIKeyLIOONDNEXQNNPQ-UHFFFAOYSA-N
XLogP1.73
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylbenzotriazole?
The IUPAC name of 1-thiophen-2-ylsulfonylbenzotriazole (CID 3812340) is 1-thiophen-2-ylsulfonylbenzotriazole.
What is the SMILES notation for 1-thiophen-2-ylsulfonylbenzotriazole?
The canonical SMILES for 1-thiophen-2-ylsulfonylbenzotriazole is O=S(=O)(c1cccs1)n1nnc2ccccc21.
What is the InChIKey of 1-thiophen-2-ylsulfonylbenzotriazole?
The InChIKey is LIOONDNEXQNNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S2/c14-17(15,10-6-3-7-16-10)13-9-5-2-1-4-8(9)11-12-13/h1-7H.
What are the key properties of 1-thiophen-2-ylsulfonylbenzotriazole?
1-thiophen-2-ylsulfonylbenzotriazole has a molecular weight of 265.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylbenzotriazole is sourced from PubChem (CID 3812340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).