2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide

C10H11F3N2O2S — CID 55068837

IUPAC2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O2S/c11-7-1-2-8(10(13)9(7)12)18(16,17)15-6-3-4-14-5-6/h1-2,6,14-15H,3-5H2
InChIKeyJHZYGHHMIXVOGZ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.74
Rot. Bonds3

About 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide

2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55068837) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55068837
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O2S/c11-7-1-2-8(10(13)9(7)12)18(16,17)15-6-3-4-14-5-6/h1-2,6,14-15H,3-5H2
InChIKeyJHZYGHHMIXVOGZ-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 62380630
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2,3,4-trifluoro-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 129379078
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55068837) is 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide is O=S(=O)(NC1CCNC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is JHZYGHHMIXVOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-7-1-2-8(10(13)9(7)12)18(16,17)15-6-3-4-14-5-6/h1-2,6,14-15H,3-5H2.
What are the key properties of 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 280.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55068837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).