3-bromo-5-nitropyridine-2-sulfonamide

C5H4BrN3O4S — CID 79524071

IUPAC3-bromo-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C5H4BrN3O4S/c6-4-1-3(9(10)11)2-8-5(4)14(7,12)13/h1-2H,(H2,7,12,13)
InChIKeyUAPWURZREVPXQB-UHFFFAOYSA-N
MW282.07 g/mol
LogP0.40
Rot. Bonds2

About 3-bromo-5-nitropyridine-2-sulfonamide

3-bromo-5-nitropyridine-2-sulfonamide (PubChem CID 79524071) has the molecular formula C5H4BrN3O4S and a molecular weight of 282.07 g/mol. Its IUPAC name is 3-bromo-5-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-nitropyridine-2-sulfonamide
PubChem CID79524071
Molecular FormulaC5H4BrN3O4S
Molecular Weight282.07 g/mol
Exact Mass280.91
IUPAC Name3-bromo-5-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C5H4BrN3O4S/c6-4-1-3(9(10)11)2-8-5(4)14(7,12)13/h1-2H,(H2,7,12,13)
InChIKeyUAPWURZREVPXQB-UHFFFAOYSA-N
XLogP0.40
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719105
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
2-bromo-4-nitro-1-(sulfamoylamino)benzene
CID 112573617
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
CID 79523372
1-(3-bromo-5-nitro-2-pyridinyl)butan-2-amine
CID 79523633
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitropyridine-2-sulfonamide?
The IUPAC name of 3-bromo-5-nitropyridine-2-sulfonamide (CID 79524071) is 3-bromo-5-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-bromo-5-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-bromo-5-nitropyridine-2-sulfonamide is NS(=O)(=O)c1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-5-nitropyridine-2-sulfonamide?
The InChIKey is UAPWURZREVPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O4S/c6-4-1-3(9(10)11)2-8-5(4)14(7,12)13/h1-2H,(H2,7,12,13).
What are the key properties of 3-bromo-5-nitropyridine-2-sulfonamide?
3-bromo-5-nitropyridine-2-sulfonamide has a molecular weight of 282.07 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitropyridine-2-sulfonamide is sourced from PubChem (CID 79524071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).