2,4-dibromo-6-nitrobenzenesulfonamide

C6H4Br2N2O4S — CID 43363665

IUPAC2,4-dibromo-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4Br2N2O4S/c7-3-1-4(8)6(15(9,13)14)5(2-3)10(11)12/h1-2H,(H2,9,13,14)
InChIKeySMJSSOSYHVUNML-UHFFFAOYSA-N
MW359.98 g/mol
LogP1.77
Rot. Bonds2

About 2,4-dibromo-6-nitrobenzenesulfonamide

2,4-dibromo-6-nitrobenzenesulfonamide (PubChem CID 43363665) has the molecular formula C6H4Br2N2O4S and a molecular weight of 359.98 g/mol. Its IUPAC name is 2,4-dibromo-6-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-6-nitrobenzenesulfonamide
PubChem CID43363665
Molecular FormulaC6H4Br2N2O4S
Molecular Weight359.98 g/mol
Exact Mass357.83
IUPAC Name2,4-dibromo-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4Br2N2O4S/c7-3-1-4(8)6(15(9,13)14)5(2-3)10(11)12/h1-2H,(H2,9,13,14)
InChIKeySMJSSOSYHVUNML-UHFFFAOYSA-N
XLogP1.77
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.98
LogP ≤ 51.77
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

5-bromo-2-fluoro-3-nitrophenol
CID 131137935
1,5-dibromo-2-isocyanato-3-nitrobenzene
CID 169352232
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
3-(4-bromo-2-methyl-6-nitrophenoxy)propane-1-sulfonamide
CID 79843683
2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
CID 139788843
1-bromo-2,4,5-trinitrobenzene
CID 13333986
2-(4-bromo-2-nitroanilino)ethanesulfonamide
CID 43552407
(2,4,6-tribromophenyl) 2-nitrobenzenesulfonate
CID 138994821
2-bromo-4,6-dinitroaniline;sulfuric acid
CID 174616182
4-bromo-2-nitro-1-(tribromomethylsulfonyl)benzene
CID 20741124
2-amino-4-bromo-6-nitrobenzonitrile
CID 171014490
3-[(4-bromo-2-nitrophenyl)methylamino]propane-1-sulfonamide
CID 114385628

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-nitrobenzenesulfonamide?
The IUPAC name of 2,4-dibromo-6-nitrobenzenesulfonamide (CID 43363665) is 2,4-dibromo-6-nitrobenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-6-nitrobenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-6-nitrobenzenesulfonamide is NS(=O)(=O)c1c(Br)cc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dibromo-6-nitrobenzenesulfonamide?
The InChIKey is SMJSSOSYHVUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N2O4S/c7-3-1-4(8)6(15(9,13)14)5(2-3)10(11)12/h1-2H,(H2,9,13,14).
What are the key properties of 2,4-dibromo-6-nitrobenzenesulfonamide?
2,4-dibromo-6-nitrobenzenesulfonamide has a molecular weight of 359.98 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-nitrobenzenesulfonamide is sourced from PubChem (CID 43363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).