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

C6H4BrF2N3O4S — CID 134685338

IUPAC3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(C(F)F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C6H4BrF2N3O4S/c7-3-4(12(13)14)2(5(8)9)1-11-6(3)17(10,15)16/h1,5H,(H2,10,15,16)
InChIKeyHCVPZDFBBYBSQX-UHFFFAOYSA-N
MW332.08 g/mol
LogP1.34
Rot. Bonds3

About 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide

3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide (PubChem CID 134685338) has the molecular formula C6H4BrF2N3O4S and a molecular weight of 332.08 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
PubChem CID134685338
Molecular FormulaC6H4BrF2N3O4S
Molecular Weight332.08 g/mol
Exact Mass330.91
IUPAC Name3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(C(F)F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C6H4BrF2N3O4S/c7-3-4(12(13)14)2(5(8)9)1-11-6(3)17(10,15)16/h1,5H,(H2,10,15,16)
InChIKeyHCVPZDFBBYBSQX-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

5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide?
The IUPAC name of 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide (CID 134685338) is 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide is NS(=O)(=O)c1ncc(C(F)F)c([N+](=O)[O-])c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide?
The InChIKey is HCVPZDFBBYBSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O4S/c7-3-4(12(13)14)2(5(8)9)1-11-6(3)17(10,15)16/h1,5H,(H2,10,15,16).
What are the key properties of 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide?
3-bromo-5-(difluoromethyl)-4-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 3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide is sourced from PubChem (CID 134685338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).