N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide

C13H9Br2N3O2S — CID 43550675

IUPACN-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O2S/c14-9-5-10(15)13(11(17)6-9)18-21(19,20)12-4-2-1-3-8(12)7-16/h1-6,18H,17H2
InChIKeyNILUVEMCYNMUBE-UHFFFAOYSA-N
MW431.11 g/mol
LogP3.47
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide

N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide (PubChem CID 43550675) has the molecular formula C13H9Br2N3O2S and a molecular weight of 431.11 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
PubChem CID43550675
Molecular FormulaC13H9Br2N3O2S
Molecular Weight431.11 g/mol
Exact Mass428.88
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O2S/c14-9-5-10(15)13(11(17)6-9)18-21(19,20)12-4-2-1-3-8(12)7-16/h1-6,18H,17H2
InChIKeyNILUVEMCYNMUBE-UHFFFAOYSA-N
XLogP3.47
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.11
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide (CID 43550675) is N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide?
The InChIKey is NILUVEMCYNMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O2S/c14-9-5-10(15)13(11(17)6-9)18-21(19,20)12-4-2-1-3-8(12)7-16/h1-6,18H,17H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide?
N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide has a molecular weight of 431.11 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 43550675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).