(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide

C13H13NO3S — CID 11265515

IUPAC(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/Cc2ccoc2)cc1
InChIInChI=1S/C13H13NO3S/c1-11-2-4-13(5-3-11)18(15,16)14-8-6-12-7-9-17-10-12/h2-5,7-10H,6H2,1H3/b14-8+
InChIKeyVXQARHREJGIIAL-RIYZIHGNSA-N
MW263.32 g/mol
LogP2.59
Rot. Bonds4

About (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide

(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide (PubChem CID 11265515) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide
PubChem CID11265515
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/Cc2ccoc2)cc1
InChIInChI=1S/C13H13NO3S/c1-11-2-4-13(5-3-11)18(15,16)14-8-6-12-7-9-17-10-12/h2-5,7-10H,6H2,1H3/b14-8+
InChIKeyVXQARHREJGIIAL-RIYZIHGNSA-N
XLogP2.59
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
CID 11313119
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
N-(furan-3-ylmethyl)-2-(4-methylphenyl)sulfonylethanamine
CID 106512322
1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
CID 110874499
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 42637465
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide (CID 11265515) is (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/Cc2ccoc2)cc1.
What is the InChIKey of (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide?
The InChIKey is VXQARHREJGIIAL-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-11-2-4-13(5-3-11)18(15,16)14-8-6-12-7-9-17-10-12/h2-5,7-10H,6H2,1H3/b14-8+.
What are the key properties of (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide?
(NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(furan-3-yl)ethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11265515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).