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

C12H10F3NO3S — CID 43427556

IUPACN-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCc1ccco1)C(F)(F)F
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-6-2-1-5-10(11)16-8-9-4-3-7-19-9/h1-7,16H,8H2
InChIKeyUEXWHSKGWXDNJI-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.19
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 43427556) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID43427556
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC NameN-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCc1ccco1)C(F)(F)F
InChIInChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-6-2-1-5-10(11)16-8-9-4-3-7-19-9/h1-7,16H,8H2
InChIKeyUEXWHSKGWXDNJI-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

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Related Compounds

N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 43427557
N-cyclopropyl-2-(furan-2-ylmethylamino)benzenesulfonamide
CID 43454645
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 43553664
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
2-[2-(furan-2-ylmethylamino)phenyl]ethanol
CID 70519504
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
2-(5-methylfuran-2-yl)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 133353165

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline (CID 43427556) is N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccccc1NCc1ccco1)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is UEXWHSKGWXDNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c13-12(14,15)20(17,18)11-6-2-1-5-10(11)16-8-9-4-3-7-19-9/h1-7,16H,8H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
N-(furan-2-ylmethyl)-2-(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)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).