6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide

C6H4BrClF2N2O2S — CID 119001281

IUPAC6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C6H4BrClF2N2O2S/c7-5-3(6(9)10)4(8)2(1-12-5)15(11,13)14/h1,6H,(H2,11,13,14)
InChIKeyVDTYGAJELQDRKG-UHFFFAOYSA-N
MW321.53 g/mol
LogP2.08
Rot. Bonds2

About 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide

6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide (PubChem CID 119001281) has the molecular formula C6H4BrClF2N2O2S and a molecular weight of 321.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
PubChem CID119001281
Molecular FormulaC6H4BrClF2N2O2S
Molecular Weight321.53 g/mol
Exact Mass319.88
IUPAC Name6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C6H4BrClF2N2O2S/c7-5-3(6(9)10)4(8)2(1-12-5)15(11,13)14/h1,6H,(H2,11,13,14)
InChIKeyVDTYGAJELQDRKG-UHFFFAOYSA-N
XLogP2.08
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
6-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119016728
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 130074592
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
4-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130095772
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
4-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 118817790
5-bromo-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095357
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide (CID 119001281) is 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(Br)c(C(F)F)c1Cl.
What is the InChIKey of 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide?
The InChIKey is VDTYGAJELQDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClF2N2O2S/c7-5-3(6(9)10)4(8)2(1-12-5)15(11,13)14/h1,6H,(H2,11,13,14).
What are the key properties of 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide?
6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide has a molecular weight of 321.53 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 119001281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).