4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride

C6H4BrClF2N2O2S — CID 118850596

IUPAC4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESNc1c(C(F)F)cnc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C6H4BrClF2N2O2S/c7-5-4(15(8,13)14)3(11)2(1-12-5)6(9)10/h1,6H,(H2,11,12)
InChIKeySDUNTEYQMZIOGL-UHFFFAOYSA-N
MW321.53 g/mol
LogP2.29
Rot. Bonds2

About 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride

4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118850596) has the molecular formula C6H4BrClF2N2O2S and a molecular weight of 321.53 g/mol. Its IUPAC name is 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118850596
Molecular FormulaC6H4BrClF2N2O2S
Molecular Weight321.53 g/mol
Exact Mass319.88
IUPAC Name4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESNc1c(C(F)F)cnc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C6H4BrClF2N2O2S/c7-5-4(15(8,13)14)3(11)2(1-12-5)6(9)10/h1,6H,(H2,11,12)
InChIKeySDUNTEYQMZIOGL-UHFFFAOYSA-N
XLogP2.29
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
4-amino-2-bromo-6-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118840544
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130101773
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 118850596) is 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride is Nc1c(C(F)F)cnc(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is SDUNTEYQMZIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClF2N2O2S/c7-5-4(15(8,13)14)3(11)2(1-12-5)6(9)10/h1,6H,(H2,11,12).
What are the key properties of 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 321.53 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118850596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).