4-bromo-2-nitrobenzenesulfonamide

C6H5BrN2O4S — CID 522924

IUPAC4-bromo-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)
InChIKeyRLOBLCKPLSPZIT-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.00
Rot. Bonds2

About 4-bromo-2-nitrobenzenesulfonamide

4-bromo-2-nitrobenzenesulfonamide (PubChem CID 522924) has the molecular formula C6H5BrN2O4S and a molecular weight of 281.09 g/mol. Its IUPAC name is 4-bromo-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-nitrobenzenesulfonamide
PubChem CID522924
Molecular FormulaC6H5BrN2O4S
Molecular Weight281.09 g/mol
Exact Mass279.92
IUPAC Name4-bromo-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)
InChIKeyRLOBLCKPLSPZIT-UHFFFAOYSA-N
XLogP1.00
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.00
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

2-Nitrobenzenesulfonamide
CID 138510
N-Hydroxy-2-nitrobenzenesulfonamide
CID 23645544
2-Nitrobenzene-1-sulfonohydrazide
CID 1501843
2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
4-Bromo-2-nitrobenzene-1-thiol
CID 21980019
N-(3-bromophenyl)-2-nitrobenzenesulfonamide
CID 1087333
2-Amino-6-bromobenzene-1-sulfonamide
CID 12528493
4-Bromo-3-nitrobenzene-1-sulfonyl chloride
CID 21654332
4-Bromo-2-nitrobenzenesulfonyl chloride
CID 21654333
2-Bromo-4-nitrobenzene-1-sulfonyl chloride
CID 23470366
5-Fluoro-2-nitrobenzene-1-sulfonamide
CID 60996093
4-Bromo-3-nitrobenzene-1-sulfonamide
CID 71756345

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-nitrobenzenesulfonamide?
The IUPAC name of 4-bromo-2-nitrobenzenesulfonamide (CID 522924) is 4-bromo-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-bromo-2-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-2-nitrobenzenesulfonamide?
The InChIKey is RLOBLCKPLSPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13).
What are the key properties of 4-bromo-2-nitrobenzenesulfonamide?
4-bromo-2-nitrobenzenesulfonamide has a molecular weight of 281.09 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitrobenzenesulfonamide is sourced from PubChem (CID 522924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).