3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

C12H11F2NO3S — CID 8817807

IUPAC3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C12H11F2NO3S/c1-8(12-3-2-6-18-12)15-19(16,17)9-4-5-10(13)11(14)7-9/h2-8,15H,1H3/t8-/m0/s1
InChIKeyXNZVJNZMYFGWOH-QMMMGPOBSA-N
MW287.29 g/mol
LogP2.60
Rot. Bonds4

About 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 8817807) has the molecular formula C12H11F2NO3S and a molecular weight of 287.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID8817807
Molecular FormulaC12H11F2NO3S
Molecular Weight287.29 g/mol
Exact Mass287.04
IUPAC Name3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C12H11F2NO3S/c1-8(12-3-2-6-18-12)15-19(16,17)9-4-5-10(13)11(14)7-9/h2-8,15H,1H3/t8-/m0/s1
InChIKeyXNZVJNZMYFGWOH-QMMMGPOBSA-N
XLogP2.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62147836
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 8817807) is 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1.
What is the InChIKey of 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XNZVJNZMYFGWOH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11F2NO3S/c1-8(12-3-2-6-18-12)15-19(16,17)9-4-5-10(13)11(14)7-9/h2-8,15H,1H3/t8-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8817807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).