4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide

C13H14N2O3S — CID 71360263

IUPAC4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O3S/c1-15(2)19(16,17)13-7-5-11(6-8-13)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+
InChIKeyHUROFKDWBYHJBX-GXDHUFHOSA-N
MW278.33 g/mol
LogP2.28
Rot. Bonds4

About 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide

4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 71360263) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide
PubChem CID71360263
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H14N2O3S/c1-15(2)19(16,17)13-7-5-11(6-8-13)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+
InChIKeyHUROFKDWBYHJBX-GXDHUFHOSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
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 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide (CID 71360263) is 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is HUROFKDWBYHJBX-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15(2)19(16,17)13-7-5-11(6-8-13)14-10-12-4-3-9-18-12/h3-10H,1-2H3/b14-10+.
What are the key properties of 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide?
4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylideneamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 71360263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).