N-[(E)-1-phenylheptylideneamino]methanesulfonamide

C14H22N2O2S — CID 5333778

IUPACN-[(E)-1-phenylheptylideneamino]methanesulfonamide
SMILESCCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-3-4-5-9-12-14(15-16-19(2,17)18)13-10-7-6-8-11-13/h6-8,10-11,16H,3-5,9,12H2,1-2H3/b15-14+
InChIKeyKGZIECJVXAHCOC-CCEZHUSRSA-N
MW282.41 g/mol
LogP2.91
Rot. Bonds8

About N-[(E)-1-phenylheptylideneamino]methanesulfonamide

N-[(E)-1-phenylheptylideneamino]methanesulfonamide (PubChem CID 5333778) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(E)-1-phenylheptylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-phenylheptylideneamino]methanesulfonamide
PubChem CID5333778
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(E)-1-phenylheptylideneamino]methanesulfonamide
SMILESCCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-3-4-5-9-12-14(15-16-19(2,17)18)13-10-7-6-8-11-13/h6-8,10-11,16H,3-5,9,12H2,1-2H3/b15-14+
InChIKeyKGZIECJVXAHCOC-CCEZHUSRSA-N
XLogP2.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N-[(E)-1-phenylheptylideneamino]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylheptylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-1-phenylheptylideneamino]methanesulfonamide (CID 5333778) is N-[(E)-1-phenylheptylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-1-phenylheptylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-1-phenylheptylideneamino]methanesulfonamide is CCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylheptylideneamino]methanesulfonamide?
The InChIKey is KGZIECJVXAHCOC-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-5-9-12-14(15-16-19(2,17)18)13-10-7-6-8-11-13/h6-8,10-11,16H,3-5,9,12H2,1-2H3/b15-14+.
What are the key properties of N-[(E)-1-phenylheptylideneamino]methanesulfonamide?
N-[(E)-1-phenylheptylideneamino]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylheptylideneamino]methanesulfonamide is sourced from PubChem (CID 5333778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).