4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

C17H19ClN2O2S — CID 5183188

IUPAC4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(4-2)23(21,22)17-11-9-16(10-12-17)19-13-14-5-7-15(18)8-6-14/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyVRMIGYNUEIXUPW-CPNJWEJPSA-N
MW350.87 g/mol
LogP4.12
Rot. Bonds6

About 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (PubChem CID 5183188) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
PubChem CID5183188
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(4-2)23(21,22)17-11-9-16(10-12-17)19-13-14-5-7-15(18)8-6-14/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyVRMIGYNUEIXUPW-CPNJWEJPSA-N
XLogP4.12
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (CID 5183188) is 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is VRMIGYNUEIXUPW-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-3-20(4-2)23(21,22)17-11-9-16(10-12-17)19-13-14-5-7-15(18)8-6-14/h5-13H,3-4H2,1-2H3/b19-13+.
What are the key properties of 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 350.87 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 5183188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).