N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C15H16F3NO3S — CID 95986021

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESC[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3S/c1-11(9-14-3-2-8-22-14)19-23(20,21)10-12-4-6-13(7-5-12)15(16,17)18/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyXSPPATKJSQQRQL-NSHDSACASA-N
MW347.36 g/mol
LogP3.35
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 95986021) has the molecular formula C15H16F3NO3S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID95986021
Molecular FormulaC15H16F3NO3S
Molecular Weight347.36 g/mol
Exact Mass347.08
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESC[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3S/c1-11(9-14-3-2-8-22-14)19-23(20,21)10-12-4-6-13(7-5-12)15(16,17)18/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyXSPPATKJSQQRQL-NSHDSACASA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 95986021) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is C[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is XSPPATKJSQQRQL-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3NO3S/c1-11(9-14-3-2-8-22-14)19-23(20,21)10-12-4-6-13(7-5-12)15(16,17)18/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 95986021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).