4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide

C17H21N3O2S — CID 2368997

IUPAC4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,13H,11-12H2,1-2H3,(H2,18,21,22)/b19-13+
InChIKeyDPUKJXYTRFOZIC-CPNJWEJPSA-N
MW331.44 g/mol
LogP2.06
Rot. Bonds6

About 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide

4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide (PubChem CID 2368997) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide
PubChem CID2368997
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,13H,11-12H2,1-2H3,(H2,18,21,22)/b19-13+
InChIKeyDPUKJXYTRFOZIC-CPNJWEJPSA-N
XLogP2.06
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
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-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide (CID 2368997) is 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide is CN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is DPUKJXYTRFOZIC-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,13H,11-12H2,1-2H3,(H2,18,21,22)/b19-13+.
What are the key properties of 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide?
4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2368997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).