4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide

C13H12F3NO3S — CID 129406222

IUPAC4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO3S/c1-9-4-6-10(7-5-9)21(18,19)17-12(13(14,15)16)11-3-2-8-20-11/h2-8,12,17H,1H3/t12-/m1/s1
InChIKeyWVRZBELNENVTAZ-GFCCVEGCSA-N
MW319.30 g/mol
LogP3.17
Rot. Bonds4

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

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 129406222) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID129406222
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Name4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO3S/c1-9-4-6-10(7-5-9)21(18,19)17-12(13(14,15)16)11-3-2-8-20-11/h2-8,12,17H,1H3/t12-/m1/s1
InChIKeyWVRZBELNENVTAZ-GFCCVEGCSA-N
XLogP3.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide 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

N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 134946791
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 125139473
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 134950960
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
4-methyl-N-[2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluorophenyl)pentyl]benzenesulfonamide
CID 11677675
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 129406222) is 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccco2)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WVRZBELNENVTAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-9-4-6-10(7-5-9)21(18,19)17-12(13(14,15)16)11-3-2-8-20-11/h2-8,12,17H,1H3/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide?
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 319.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 129406222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).