1-pyridin-3-ylsulfonylbenzotriazole

C11H8N4O2S — CID 3706993

IUPAC1-pyridin-3-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1cccnc1)n1nnc2ccccc21
InChIInChI=1S/C11H8N4O2S/c16-18(17,9-4-3-7-12-8-9)15-11-6-2-1-5-10(11)13-14-15/h1-8H
InChIKeyDFXYJMFTJONXBH-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.06
Rot. Bonds2

About 1-pyridin-3-ylsulfonylbenzotriazole

1-pyridin-3-ylsulfonylbenzotriazole (PubChem CID 3706993) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonylbenzotriazole.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonylbenzotriazole
PubChem CID3706993
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name1-pyridin-3-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1cccnc1)n1nnc2ccccc21
InChIInChI=1S/C11H8N4O2S/c16-18(17,9-4-3-7-12-8-9)15-11-6-2-1-5-10(11)13-14-15/h1-8H
InChIKeyDFXYJMFTJONXBH-UHFFFAOYSA-N
XLogP1.06
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonylbenzotriazole?
The IUPAC name of 1-pyridin-3-ylsulfonylbenzotriazole (CID 3706993) is 1-pyridin-3-ylsulfonylbenzotriazole.
What is the SMILES notation for 1-pyridin-3-ylsulfonylbenzotriazole?
The canonical SMILES for 1-pyridin-3-ylsulfonylbenzotriazole is O=S(=O)(c1cccnc1)n1nnc2ccccc21.
What is the InChIKey of 1-pyridin-3-ylsulfonylbenzotriazole?
The InChIKey is DFXYJMFTJONXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-18(17,9-4-3-7-12-8-9)15-11-6-2-1-5-10(11)13-14-15/h1-8H.
What are the key properties of 1-pyridin-3-ylsulfonylbenzotriazole?
1-pyridin-3-ylsulfonylbenzotriazole has a molecular weight of 260.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonylbenzotriazole is sourced from PubChem (CID 3706993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).