5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide

C6H6BrF2N3O2S — CID 130102347

IUPAC5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)nc1Br
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-2(10)1-3(15(11,13)14)4(12-5)6(8)9/h1,6H,10H2,(H2,11,13,14)
InChIKeyFKBXEGZHVBDKHH-UHFFFAOYSA-N
MW302.10 g/mol
LogP1.01
Rot. Bonds2

About 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide

5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide (PubChem CID 130102347) has the molecular formula C6H6BrF2N3O2S and a molecular weight of 302.10 g/mol. Its IUPAC name is 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
PubChem CID130102347
Molecular FormulaC6H6BrF2N3O2S
Molecular Weight302.10 g/mol
Exact Mass300.93
IUPAC Name5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)nc1Br
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-2(10)1-3(15(11,13)14)4(12-5)6(8)9/h1,6H,10H2,(H2,11,13,14)
InChIKeyFKBXEGZHVBDKHH-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

5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
CID 130101693
5-amino-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130103775
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
CID 130069045
2-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 118848789
2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide
CID 118854230
2-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118848760
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide (CID 130102347) is 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide is Nc1cc(S(N)(=O)=O)c(C(F)F)nc1Br.
What is the InChIKey of 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide?
The InChIKey is FKBXEGZHVBDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3O2S/c7-5-2(10)1-3(15(11,13)14)4(12-5)6(8)9/h1,6H,10H2,(H2,11,13,14).
What are the key properties of 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide?
5-amino-6-bromo-2-(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 5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 130102347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).