N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide

C17H30N2O3S — CID 54037768

IUPACN-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NN=Cc1ccco1
InChIInChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h12-14,16,19H,2-11,15H2,1H3
InChIKeyLKEKHCOJRPIWGT-UHFFFAOYSA-N
MW342.50 g/mol
LogP4.45
Rot. Bonds14

About N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide

N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide (PubChem CID 54037768) has the molecular formula C17H30N2O3S and a molecular weight of 342.50 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide
PubChem CID54037768
Molecular FormulaC17H30N2O3S
Molecular Weight342.50 g/mol
Exact Mass342.20
IUPAC NameN-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NN=Cc1ccco1
InChIInChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h12-14,16,19H,2-11,15H2,1H3
InChIKeyLKEKHCOJRPIWGT-UHFFFAOYSA-N
XLogP4.45
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide (CID 54037768) is N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide?
The InChIKey is LKEKHCOJRPIWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h12-14,16,19H,2-11,15H2,1H3.
What are the key properties of N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide?
N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide has a molecular weight of 342.50 g/mol, XLogP of 4.45, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide is sourced from PubChem (CID 54037768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).