(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide

C11H9NO2S — CID 177456242

IUPAC(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide
SMILESO=S(/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO2S/c13-15(11-6-2-1-3-7-11)12-9-10-5-4-8-14-10/h1-9H/b12-9+
InChIKeyNXGZSNRCYOWJGU-FMIVXFBMSA-N
MW219.27 g/mol
LogP2.42
Rot. Bonds3

About (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide

(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide (PubChem CID 177456242) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide.

Molecular Properties

Compound Name(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide
PubChem CID177456242
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide
SMILESO=S(/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO2S/c13-15(11-6-2-1-3-7-11)12-9-10-5-4-8-14-10/h1-9H/b12-9+
InChIKeyNXGZSNRCYOWJGU-FMIVXFBMSA-N
XLogP2.42
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
CID 177399008
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
1-(furan-2-yl)-N-hydroperoxymethanimine
CID 131862046
(NE)-N-(1,2-benzoxazol-3-ylmethylidene)benzenesulfinamide
CID 12858383
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[(Z)-furan-2-ylmethylideneamino]benzenesulfonamide
CID 6269707
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
furan-2-carbaldehyde
CID 76972982
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide?
The IUPAC name of (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide (CID 177456242) is (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide.
What is the SMILES notation for (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide?
The canonical SMILES for (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide is O=S(/N=C/c1ccco1)c1ccccc1.
What is the InChIKey of (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide?
The InChIKey is NXGZSNRCYOWJGU-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-15(11-6-2-1-3-7-11)12-9-10-5-4-8-14-10/h1-9H/b12-9+.
What are the key properties of (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide?
(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide has a molecular weight of 219.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(furan-2-ylmethylidene)benzenesulfinamide is sourced from PubChem (CID 177456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).