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

C6H6BrF2N3O2S — CID 118817717

IUPAC4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1c(S(N)(=O)=O)cnc(Br)c1C(F)F
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(10)2(1-12-5)15(11,13)14/h1,6H,(H2,10,12)(H2,11,13,14)
InChIKeyKHOXHCQROUJSDN-UHFFFAOYSA-N
MW302.10 g/mol
LogP1.01
Rot. Bonds2

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

4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide (PubChem CID 118817717) has the molecular formula C6H6BrF2N3O2S and a molecular weight of 302.10 g/mol. Its IUPAC name is 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
PubChem CID118817717
Molecular FormulaC6H6BrF2N3O2S
Molecular Weight302.10 g/mol
Exact Mass300.93
IUPAC Name4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1c(S(N)(=O)=O)cnc(Br)c1C(F)F
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(10)2(1-12-5)15(11,13)14/h1,6H,(H2,10,12)(H2,11,13,14)
InChIKeyKHOXHCQROUJSDN-UHFFFAOYSA-N
XLogP1.01
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119001281
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118800250
4-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 118817790
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
6-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119016728
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
5-bromo-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095357
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide (CID 118817717) is 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide is Nc1c(S(N)(=O)=O)cnc(Br)c1C(F)F.
What is the InChIKey of 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide?
The InChIKey is KHOXHCQROUJSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(10)2(1-12-5)15(11,13)14/h1,6H,(H2,10,12)(H2,11,13,14).
What are the key properties of 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide?
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide has a molecular weight of 302.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 118817717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).