5-amino-2-(4-aminophenyl)sulfonylbenzonitrile

C13H11N3O2S — CID 19912910

IUPAC5-amino-2-(4-aminophenyl)sulfonylbenzonitrile
SMILESN#Cc1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H11N3O2S/c14-8-9-7-11(16)3-6-13(9)19(17,18)12-4-1-10(15)2-5-12/h1-7H,15-16H2
InChIKeyLVZAOOJEXUWYCW-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.56
Rot. Bonds2

About 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile

5-amino-2-(4-aminophenyl)sulfonylbenzonitrile (PubChem CID 19912910) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile.

Molecular Properties

Compound Name5-amino-2-(4-aminophenyl)sulfonylbenzonitrile
PubChem CID19912910
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-amino-2-(4-aminophenyl)sulfonylbenzonitrile
SMILESN#Cc1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H11N3O2S/c14-8-9-7-11(16)3-6-13(9)19(17,18)12-4-1-10(15)2-5-12/h1-7H,15-16H2
InChIKeyLVZAOOJEXUWYCW-UHFFFAOYSA-N
XLogP1.56
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile?
The IUPAC name of 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile (CID 19912910) is 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile.
What is the SMILES notation for 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile?
The canonical SMILES for 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile is N#Cc1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile?
The InChIKey is LVZAOOJEXUWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-8-9-7-11(16)3-6-13(9)19(17,18)12-4-1-10(15)2-5-12/h1-7H,15-16H2.
What are the key properties of 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile?
5-amino-2-(4-aminophenyl)sulfonylbenzonitrile has a molecular weight of 273.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-aminophenyl)sulfonylbenzonitrile is sourced from PubChem (CID 19912910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).