N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide

C13H14N2O3S — CID 6897641

IUPACN-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O3S/c1-11-5-7-13(8-6-11)19(16,17)15(2)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+
InChIKeyCVDGPZSDSMVUEF-GXDHUFHOSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide

N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide (PubChem CID 6897641) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide
PubChem CID6897641
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O3S/c1-11-5-7-13(8-6-11)19(16,17)15(2)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+
InChIKeyCVDGPZSDSMVUEF-GXDHUFHOSA-N
XLogP2.24
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide (CID 6897641) is N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide?
The InChIKey is CVDGPZSDSMVUEF-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-11-5-7-13(8-6-11)19(16,17)15(2)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide?
N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 6897641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).