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

C12H12FNO3S — CID 8817459

IUPAC2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H12FNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m0/s1
InChIKeyVDVMMLXGBLXFGC-VIFPVBQESA-N
MW269.30 g/mol
LogP2.46
Rot. Bonds4

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

2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 8817459) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID8817459
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H12FNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m0/s1
InChIKeyVDVMMLXGBLXFGC-VIFPVBQESA-N
XLogP2.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 8817459) is 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VDVMMLXGBLXFGC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8817459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).