3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H10FNO3S — CID 889784

IUPAC3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C11H10FNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2
InChIKeyKZZYIOSSGLZQMA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.90
Rot. Bonds4

About 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 889784) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID889784
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C11H10FNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2
InChIKeyKZZYIOSSGLZQMA-UHFFFAOYSA-N
XLogP1.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 889784) is 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is KZZYIOSSGLZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2.
What are the key properties of 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 889784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).