N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide

C12H8BrClN2O4S — CID 4876033

IUPACN-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-9-6-5-8(7-10(9)14)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H
InChIKeyFKPGNGJPLSLEQP-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.81
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide

N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide (PubChem CID 4876033) has the molecular formula C12H8BrClN2O4S and a molecular weight of 391.63 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
PubChem CID4876033
Molecular FormulaC12H8BrClN2O4S
Molecular Weight391.63 g/mol
Exact Mass389.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-9-6-5-8(7-10(9)14)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H
InChIKeyFKPGNGJPLSLEQP-UHFFFAOYSA-N
XLogP3.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.81
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'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
CID 106000455
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide (CID 4876033) is N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is FKPGNGJPLSLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4S/c13-9-6-5-8(7-10(9)14)15-21(19,20)12-4-2-1-3-11(12)16(17)18/h1-7,15H.
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide?
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide has a molecular weight of 391.63 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 4876033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).