N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline

C12H10F3NO3S — CID 43427557

IUPACN-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccc(NCc2ccco2)cc1)C(F)(F)F
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-5-3-9(4-6-11)16-8-10-2-1-7-19-10/h1-7,16H,8H2
InChIKeyPSYLYHMSWLIIRU-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.19
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline

N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline (PubChem CID 43427557) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
PubChem CID43427557
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC NameN-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccc(NCc2ccco2)cc1)C(F)(F)F
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-5-3-9(4-6-11)16-8-10-2-1-7-19-10/h1-7,16H,8H2
InChIKeyPSYLYHMSWLIIRU-UHFFFAOYSA-N
XLogP3.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline 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-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427556
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 79492911
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 106403444
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline (CID 43427557) is N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccc(NCc2ccco2)cc1)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline?
The InChIKey is PSYLYHMSWLIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-5-3-9(4-6-11)16-8-10-2-1-7-19-10/h1-7,16H,8H2.
What are the key properties of N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline?
N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline has a molecular weight of 305.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).