N-(2-bromophenyl)-2-nitrobenzenesulfonamide

C12H9BrN2O4S — CID 1377516

IUPACN-(2-bromophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H9BrN2O4S/c13-9-5-1-2-6-10(9)14-20(18,19)12-8-4-3-7-11(12)15(16)17/h1-8,14H
InChIKeyJRWHFNLDKLFELW-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.16
Rot. Bonds4

About N-(2-bromophenyl)-2-nitrobenzenesulfonamide

N-(2-bromophenyl)-2-nitrobenzenesulfonamide (PubChem CID 1377516) has the molecular formula C12H9BrN2O4S and a molecular weight of 357.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-nitrobenzenesulfonamide
PubChem CID1377516
Molecular FormulaC12H9BrN2O4S
Molecular Weight357.19 g/mol
Exact Mass355.95
IUPAC NameN-(2-bromophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H9BrN2O4S/c13-9-5-1-2-6-10(9)14-20(18,19)12-8-4-3-7-11(12)15(16)17/h1-8,14H
InChIKeyJRWHFNLDKLFELW-UHFFFAOYSA-N
XLogP3.16
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)-2-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-2-nitrobenzenesulfonamide (CID 1377516) is N-(2-bromophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is JRWHFNLDKLFELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4S/c13-9-5-1-2-6-10(9)14-20(18,19)12-8-4-3-7-11(12)15(16)17/h1-8,14H.
What are the key properties of N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
N-(2-bromophenyl)-2-nitrobenzenesulfonamide has a molecular weight of 357.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 1377516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).