2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide

C11H7BrF3N3O2S — CID 62813648

IUPAC2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7BrF3N3O2S/c12-5-1-9(11(16)17-4-5)21(19,20)18-6-2-7(13)10(15)8(14)3-6/h1-4,18H,(H2,16,17)
InChIKeyFFGXJKSBNUWYBU-UHFFFAOYSA-N
MW382.16 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 62813648) has the molecular formula C11H7BrF3N3O2S and a molecular weight of 382.16 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
PubChem CID62813648
Molecular FormulaC11H7BrF3N3O2S
Molecular Weight382.16 g/mol
Exact Mass380.94
IUPAC Name2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7BrF3N3O2S/c12-5-1-9(11(16)17-4-5)21(19,20)18-6-2-7(13)10(15)8(14)3-6/h1-4,18H,(H2,16,17)
InChIKeyFFGXJKSBNUWYBU-UHFFFAOYSA-N
XLogP2.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
CID 62150632
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide (CID 62813648) is 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The InChIKey is FFGXJKSBNUWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O2S/c12-5-1-9(11(16)17-4-5)21(19,20)18-6-2-7(13)10(15)8(14)3-6/h1-4,18H,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide has a molecular weight of 382.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62813648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).