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

C6H6BrF2N3O2S — CID 130102361

IUPAC5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
SMILESNc1cnc(Br)c(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(15(11,13)14)2(10)1-12-5/h1,6H,10H2,(H2,11,13,14)
InChIKeyTVODKRQSVAWMJF-UHFFFAOYSA-N
MW302.10 g/mol
LogP1.01
Rot. Bonds2

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

5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide (PubChem CID 130102361) has the molecular formula C6H6BrF2N3O2S and a molecular weight of 302.10 g/mol. Its IUPAC name is 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
PubChem CID130102361
Molecular FormulaC6H6BrF2N3O2S
Molecular Weight302.10 g/mol
Exact Mass300.93
IUPAC Name5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
SMILESNc1cnc(Br)c(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(15(11,13)14)2(10)1-12-5/h1,6H,10H2,(H2,11,13,14)
InChIKeyTVODKRQSVAWMJF-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

4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 130103132
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119001281
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
2-amino-5-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 119021143
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide (CID 130102361) is 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide is Nc1cnc(Br)c(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide?
The InChIKey is TVODKRQSVAWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3O2S/c7-5-3(6(8)9)4(15(11,13)14)2(10)1-12-5/h1,6H,10H2,(H2,11,13,14).
What are the key properties of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide?
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-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-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 130102361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).