4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide

C13H19N5O2S — CID 3054839

IUPAC4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide
SMILESCN(C)CCn1ccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N5O2S/c1-17(2)9-10-18-8-7-15-13(18)16-21(19,20)12-5-3-11(14)4-6-12/h3-8H,9-10,14H2,1-2H3,(H,15,16)
InChIKeyPOYHLULQLFYWOX-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.83
Rot. Bonds6

About 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide

4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide (PubChem CID 3054839) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide
PubChem CID3054839
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide
SMILESCN(C)CCn1ccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N5O2S/c1-17(2)9-10-18-8-7-15-13(18)16-21(19,20)12-5-3-11(14)4-6-12/h3-8H,9-10,14H2,1-2H3,(H,15,16)
InChIKeyPOYHLULQLFYWOX-UHFFFAOYSA-N
XLogP0.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide (CID 3054839) is 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide is CN(C)CCn1ccnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide?
The InChIKey is POYHLULQLFYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17(2)9-10-18-8-7-15-13(18)16-21(19,20)12-5-3-11(14)4-6-12/h3-8H,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide?
4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3054839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).