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

C12H8BrClN2O4S — CID 61016331

IUPAC5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-4-5-11(16(17)18)12(6-8)21(19,20)15-10-3-1-2-9(14)7-10/h1-7,15H
InChIKeyBVFCYKVSBMRZHA-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide

5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide (PubChem CID 61016331) has the molecular formula C12H8BrClN2O4S and a molecular weight of 391.63 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
PubChem CID61016331
Molecular FormulaC12H8BrClN2O4S
Molecular Weight391.63 g/mol
Exact Mass389.91
IUPAC Name5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-4-5-11(16(17)18)12(6-8)21(19,20)15-10-3-1-2-9(14)7-10/h1-7,15H
InChIKeyBVFCYKVSBMRZHA-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-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
2-bromo-N-(5-chloro-2-nitrophenyl)benzenesulfonamide
CID 60640749
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
CID 29054211
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide (CID 61016331) is 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is BVFCYKVSBMRZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4S/c13-8-4-5-11(16(17)18)12(6-8)21(19,20)15-10-3-1-2-9(14)7-10/h1-7,15H.
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide?
5-bromo-N-(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 5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 61016331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).