4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide

C6H4BrF2N3O4S — CID 118834583

IUPAC4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4BrF2N3O4S/c7-2-1-3(17(10,15)16)11-6(12(13)14)4(2)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyNHNPXCTYQCNJSK-UHFFFAOYSA-N
MW332.08 g/mol
LogP1.34
Rot. Bonds3

About 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide

4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide (PubChem CID 118834583) has the molecular formula C6H4BrF2N3O4S and a molecular weight of 332.08 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
PubChem CID118834583
Molecular FormulaC6H4BrF2N3O4S
Molecular Weight332.08 g/mol
Exact Mass330.91
IUPAC Name4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4BrF2N3O4S/c7-2-1-3(17(10,15)16)11-6(12(13)14)4(2)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyNHNPXCTYQCNJSK-UHFFFAOYSA-N
XLogP1.34
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 51.34
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

4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
CID 118811757
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide (CID 118834583) is 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide is NS(=O)(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
The InChIKey is NHNPXCTYQCNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O4S/c7-2-1-3(17(10,15)16)11-6(12(13)14)4(2)5(8)9/h1,5H,(H2,10,15,16).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide?
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide has a molecular weight of 332.08 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 118834583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).