1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide

C7H5Cl3F3NO3S — CID 15499436

IUPAC1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NC(c1ccco1)C(Cl)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C7H5Cl3F3NO3S/c8-6(9,10)5(4-2-1-3-17-4)14-18(15,16)7(11,12)13/h1-3,5,14H
InChIKeyJDFOLWWAVKTSBX-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.13
Rot. Bonds3

About 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide (PubChem CID 15499436) has the molecular formula C7H5Cl3F3NO3S and a molecular weight of 346.54 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide
PubChem CID15499436
Molecular FormulaC7H5Cl3F3NO3S
Molecular Weight346.54 g/mol
Exact Mass344.90
IUPAC Name1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NC(c1ccco1)C(Cl)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C7H5Cl3F3NO3S/c8-6(9,10)5(4-2-1-3-17-4)14-18(15,16)7(11,12)13/h1-3,5,14H
InChIKeyJDFOLWWAVKTSBX-UHFFFAOYSA-N
XLogP3.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-(2-furyl)ethanamine
CID 44721394
2,2,2-Trifluoro-1-(furan-2-yl)ethan-1-amine hydrochloride
CID 71755860
(1R)-2,2-difluoro-1-(furan-2-yl)ethan-1-amine hydrochloride
CID 139022364
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131877952
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide
CID 134989019
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propane-2-sulfinamide
CID 135006490
5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
CID 5003834
[(1S)-2-fluoro-1-(furan-2-yl)ethyl]azanium chloride
CID 135055716
(1S)-2-fluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 171212090
(S)-2-methyl-propane-2-sulfinic acid ((R)-1-furan-2-yl-ethyl)-amide
CID 71288215
(S)-2,2,2-Trifluoro-1-furan-2-YL-ethylamine
CID 11321154
(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine
CID 58736578

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide (CID 15499436) is 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide is O=S(=O)(NC(c1ccco1)C(Cl)(Cl)Cl)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide?
The InChIKey is JDFOLWWAVKTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3F3NO3S/c8-6(9,10)5(4-2-1-3-17-4)14-18(15,16)7(11,12)13/h1-3,5,14H.
What are the key properties of 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide has a molecular weight of 346.54 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2,2,2-trichloro-1-(furan-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 15499436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).