4-(benzotriazol-2-yl)benzenesulfonamide

C12H10N4O2S — CID 121010064

IUPAC4-(benzotriazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C12H10N4O2S/c13-19(17,18)10-7-5-9(6-8-10)16-14-11-3-1-2-4-12(11)15-16/h1-8H,(H2,13,17,18)
InChIKeyOAAGWZTZRZSXFH-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.07
Rot. Bonds2

About 4-(benzotriazol-2-yl)benzenesulfonamide

4-(benzotriazol-2-yl)benzenesulfonamide (PubChem CID 121010064) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)benzenesulfonamide
PubChem CID121010064
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name4-(benzotriazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C12H10N4O2S/c13-19(17,18)10-7-5-9(6-8-10)16-14-11-3-1-2-4-12(11)15-16/h1-8H,(H2,13,17,18)
InChIKeyOAAGWZTZRZSXFH-UHFFFAOYSA-N
XLogP1.07
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(benzotriazol-2-yl)benzenesulfonamide (CID 121010064) is 4-(benzotriazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(benzotriazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(benzotriazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 4-(benzotriazol-2-yl)benzenesulfonamide?
The InChIKey is OAAGWZTZRZSXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-19(17,18)10-7-5-9(6-8-10)16-14-11-3-1-2-4-12(11)15-16/h1-8H,(H2,13,17,18).
What are the key properties of 4-(benzotriazol-2-yl)benzenesulfonamide?
4-(benzotriazol-2-yl)benzenesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 121010064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).