N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H9BrF4N2O2S — CID 107492981

IUPACN-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H9BrF4N2O2S/c10-1-2-16(6-9(12,13)14)19(17,18)8-3-7(11)4-15-5-8/h3-5H,1-2,6H2
InChIKeyJWOZDBSGGGZRPK-UHFFFAOYSA-N
MW365.15 g/mol
LogP2.17
Rot. Bonds5

About N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 107492981) has the molecular formula C9H9BrF4N2O2S and a molecular weight of 365.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID107492981
Molecular FormulaC9H9BrF4N2O2S
Molecular Weight365.15 g/mol
Exact Mass363.95
IUPAC NameN-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H9BrF4N2O2S/c10-1-2-16(6-9(12,13)14)19(17,18)8-3-7(11)4-15-5-8/h3-5H,1-2,6H2
InChIKeyJWOZDBSGGGZRPK-UHFFFAOYSA-N
XLogP2.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483726
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
N-(2-bromoethyl)-3,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492988
N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 107206296
N-(2-bromoethyl)-3,4-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492915
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N-methylpyridine-3-sulfonamide
CID 114242915
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107492994
N-(2-bromoethyl)-4-chloro-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-sulfonamide
CID 114172631
2-[(3,5-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265453

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 107492981) is N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1cncc(F)c1)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is JWOZDBSGGGZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF4N2O2S/c10-1-2-16(6-9(12,13)14)19(17,18)8-3-7(11)4-15-5-8/h3-5H,1-2,6H2.
What are the key properties of N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 365.15 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107492981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).