3-bromo-2-nitrobenzenesulfonamide

C6H5BrN2O4S — CID 99771087

IUPAC3-bromo-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(14(8,12)13)6(4)9(10)11/h1-3H,(H2,8,12,13)
InChIKeyZSBLCFHOBCMZGU-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.00
Rot. Bonds2

About 3-bromo-2-nitrobenzenesulfonamide

3-bromo-2-nitrobenzenesulfonamide (PubChem CID 99771087) has the molecular formula C6H5BrN2O4S and a molecular weight of 281.09 g/mol. Its IUPAC name is 3-bromo-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-nitrobenzenesulfonamide
PubChem CID99771087
Molecular FormulaC6H5BrN2O4S
Molecular Weight281.09 g/mol
Exact Mass279.92
IUPAC Name3-bromo-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(14(8,12)13)6(4)9(10)11/h1-3H,(H2,8,12,13)
InChIKeyZSBLCFHOBCMZGU-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

CID 138510
CID 138510
CID 1087333
CID 1087333
CID 522924
CID 522924
CID 21654333
CID 21654333
CID 45791566
CID 45791566
CID 71756345
CID 71756345
CID 1377516
CID 1377516
CID 45791725
CID 45791725
CID 86811673
CID 86811673
CID 99771083
CID 99771083
CID 99771089
CID 99771089
CID 165948479
CID 165948479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-nitrobenzenesulfonamide?
The IUPAC name of 3-bromo-2-nitrobenzenesulfonamide (CID 99771087) is 3-bromo-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-bromo-2-nitrobenzenesulfonamide is NS(=O)(=O)c1cccc(Br)c1[N+](=O)[O-].
What is the InChIKey of 3-bromo-2-nitrobenzenesulfonamide?
The InChIKey is ZSBLCFHOBCMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O4S/c7-4-2-1-3-5(14(8,12)13)6(4)9(10)11/h1-3H,(H2,8,12,13).
What are the key properties of 3-bromo-2-nitrobenzenesulfonamide?
3-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 3-bromo-2-nitrobenzenesulfonamide is sourced from PubChem (CID 99771087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).