4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide

C15H19N3O2S — CID 2755712

IUPAC4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide
SMILESCN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
InChIKeyLTKHAOIYRFOKFS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.01
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide

4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide (PubChem CID 2755712) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide
PubChem CID2755712
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide
SMILESCN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
InChIKeyLTKHAOIYRFOKFS-UHFFFAOYSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide (CID 2755712) is 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide is CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide?
The InChIKey is LTKHAOIYRFOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide?
4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 2755712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).