3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide

C11H9FN2O3S — CID 118716953

IUPAC3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1
InChIInChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
InChIKeyWLTROUQYCSKELQ-VGOFMYFVSA-N
MW268.27 g/mol
LogP1.82
Rot. Bonds3

About 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide

3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 118716953) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide
PubChem CID118716953
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1
InChIInChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+
InChIKeyWLTROUQYCSKELQ-VGOFMYFVSA-N
XLogP1.82
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide (CID 118716953) is 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccco2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is WLTROUQYCSKELQ-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-10-6-9(18(13,15)16)3-4-11(10)14-7-8-2-1-5-17-8/h1-7H,(H2,13,15,16)/b14-7+.
What are the key properties of 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide?
3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 268.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 118716953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).