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

C6H6BrF2N3O2S — CID 130102336

IUPAC2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1nc(C(F)F)cc(Br)c1S(N)(=O)=O
InChIInChI=1S/C6H6BrF2N3O2S/c7-2-1-3(5(8)9)12-6(10)4(2)15(11,13)14/h1,5H,(H2,10,12)(H2,11,13,14)
InChIKeyOLRSMIPIAKREJD-UHFFFAOYSA-N
MW302.10 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide

2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide (PubChem CID 130102336) has the molecular formula C6H6BrF2N3O2S and a molecular weight of 302.10 g/mol. Its IUPAC name is 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide
PubChem CID130102336
Molecular FormulaC6H6BrF2N3O2S
Molecular Weight302.10 g/mol
Exact Mass300.93
IUPAC Name2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide
SMILESNc1nc(C(F)F)cc(Br)c1S(N)(=O)=O
InChIInChI=1S/C6H6BrF2N3O2S/c7-2-1-3(5(8)9)12-6(10)4(2)15(11,13)14/h1,5H,(H2,10,12)(H2,11,13,14)
InChIKeyOLRSMIPIAKREJD-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide (CID 130102336) is 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide is Nc1nc(C(F)F)cc(Br)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide?
The InChIKey is OLRSMIPIAKREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3O2S/c7-2-1-3(5(8)9)12-6(10)4(2)15(11,13)14/h1,5H,(H2,10,12)(H2,11,13,14).
What are the key properties of 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide?
2-amino-4-bromo-6-(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 2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 130102336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).