2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

C12H10F3NO3S — CID 8817589

IUPAC2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1
InChIInChI=1S/C12H10F3NO3S/c1-7(9-3-2-6-19-9)16-20(17,18)10-5-4-8(13)11(14)12(10)15/h2-7,16H,1H3/t7-/m0/s1
InChIKeyXQXKINWIHRMOBQ-ZETCQYMHSA-N
MW305.28 g/mol
LogP2.74
Rot. Bonds4

About 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 8817589) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID8817589
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC Name2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1
InChIInChI=1S/C12H10F3NO3S/c1-7(9-3-2-6-19-9)16-20(17,18)10-5-4-8(13)11(14)12(10)15/h2-7,16H,1H3/t7-/m0/s1
InChIKeyXQXKINWIHRMOBQ-ZETCQYMHSA-N
XLogP2.74
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 8817589) is 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1.
What is the InChIKey of 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XQXKINWIHRMOBQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c1-7(9-3-2-6-19-9)16-20(17,18)10-5-4-8(13)11(14)12(10)15/h2-7,16H,1H3/t7-/m0/s1.
What are the key properties of 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8817589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).