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

C9H11BrF3N3O2S — CID 104854801

IUPAC2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H11BrF3N3O2S/c1-5(3-9(11,12)13)16-19(17,18)7-2-6(10)4-15-8(7)14/h2,4-5,16H,3H2,1H3,(H2,14,15)
InChIKeySLXJVWDRFIRDKJ-UHFFFAOYSA-N
MW362.17 g/mol
LogP2.05
Rot. Bonds4

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

2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide (PubChem CID 104854801) has the molecular formula C9H11BrF3N3O2S and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
PubChem CID104854801
Molecular FormulaC9H11BrF3N3O2S
Molecular Weight362.17 g/mol
Exact Mass360.97
IUPAC Name2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H11BrF3N3O2S/c1-5(3-9(11,12)13)16-19(17,18)7-2-6(10)4-15-8(7)14/h2,4-5,16H,3H2,1H3,(H2,14,15)
InChIKeySLXJVWDRFIRDKJ-UHFFFAOYSA-N
XLogP2.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
N-(3-bromo-5-methylpyridin-2-yl)benzenesulfonamide
CID 2809495
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 6623748
3-(Azepan-1-ylsulfonyl)-5-bromopyridin-2-amine
CID 22515856
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-5-bromopyridine-3-sulfonamide
CID 22515899
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-[2-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 22515881
4-bromo-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669661

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide (CID 104854801) is 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide is CC(CC(F)(F)F)NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is SLXJVWDRFIRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3O2S/c1-5(3-9(11,12)13)16-19(17,18)7-2-6(10)4-15-8(7)14/h2,4-5,16H,3H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 362.17 g/mol, XLogP of 2.05, 4 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-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 104854801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).