N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C13H12F3NO4S — CID 8817714

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H12F3NO4S/c1-9(12-3-2-8-20-12)17-22(18,19)11-6-4-10(5-7-11)21-13(14,15)16/h2-9,17H,1H3/t9-/m0/s1
InChIKeyCRBWGVOJSYXNNJ-VIFPVBQESA-N
MW335.30 g/mol
LogP3.22
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 8817714) has the molecular formula C13H12F3NO4S and a molecular weight of 335.30 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID8817714
Molecular FormulaC13H12F3NO4S
Molecular Weight335.30 g/mol
Exact Mass335.04
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H12F3NO4S/c1-9(12-3-2-8-20-12)17-22(18,19)11-6-4-10(5-7-11)21-13(14,15)16/h2-9,17H,1H3/t9-/m0/s1
InChIKeyCRBWGVOJSYXNNJ-VIFPVBQESA-N
XLogP3.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
4-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817710
4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817707
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 8817714) is N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CRBWGVOJSYXNNJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12F3NO4S/c1-9(12-3-2-8-20-12)17-22(18,19)11-6-4-10(5-7-11)21-13(14,15)16/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 335.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 8817714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).