1-(4-chlorophenyl)sulfonylbenzotriazole

C12H8ClN3O2S — CID 691568

IUPAC1-(4-chlorophenyl)sulfonylbenzotriazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C12H8ClN3O2S/c13-9-5-7-10(8-6-9)19(17,18)16-12-4-2-1-3-11(12)14-15-16/h1-8H
InChIKeyOMRPHKONTJDIAX-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylbenzotriazole

1-(4-chlorophenyl)sulfonylbenzotriazole (PubChem CID 691568) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylbenzotriazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylbenzotriazole
PubChem CID691568
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Name1-(4-chlorophenyl)sulfonylbenzotriazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C12H8ClN3O2S/c13-9-5-7-10(8-6-9)19(17,18)16-12-4-2-1-3-11(12)14-15-16/h1-8H
InChIKeyOMRPHKONTJDIAX-UHFFFAOYSA-N
XLogP2.32
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylbenzotriazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonylbenzotriazole (CID 691568) is 1-(4-chlorophenyl)sulfonylbenzotriazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylbenzotriazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylbenzotriazole is O=S(=O)(c1ccc(Cl)cc1)n1nnc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylbenzotriazole?
The InChIKey is OMRPHKONTJDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c13-9-5-7-10(8-6-9)19(17,18)16-12-4-2-1-3-11(12)14-15-16/h1-8H.
What are the key properties of 1-(4-chlorophenyl)sulfonylbenzotriazole?
1-(4-chlorophenyl)sulfonylbenzotriazole has a molecular weight of 293.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylbenzotriazole is sourced from PubChem (CID 691568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).