5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H9BrClF3N2O2S — CID 54978681

IUPAC5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H9BrClF3N2O2S/c1-2-16(5-9(12,13)14)19(17,18)7-3-6(10)4-15-8(7)11/h3-4H,2,5H2,1H3
InChIKeyUONKALFHRAFLFE-UHFFFAOYSA-N
MW381.60 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 54978681) has the molecular formula C9H9BrClF3N2O2S and a molecular weight of 381.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID54978681
Molecular FormulaC9H9BrClF3N2O2S
Molecular Weight381.60 g/mol
Exact Mass379.92
IUPAC Name5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H9BrClF3N2O2S/c1-2-16(5-9(12,13)14)19(17,18)7-3-6(10)4-15-8(7)11/h3-4H,2,5H2,1H3
InChIKeyUONKALFHRAFLFE-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)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

5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-chloro-N-ethylpyridine-3-sulfonamide
CID 55767222
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
CID 61060925
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 54978681) is 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is UONKALFHRAFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF3N2O2S/c1-2-16(5-9(12,13)14)19(17,18)7-3-6(10)4-15-8(7)11/h3-4H,2,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 381.60 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 54978681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).