N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide

C13H21IN4O2S — CID 120971670

IUPACN-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
SMILESCCNS(=O)(=O)c1ccc(CNC2=NCC(C)N2)cc1.I
InChIInChI=1S/C13H20N4O2S.HI/c1-3-16-20(18,19)12-6-4-11(5-7-12)9-15-13-14-8-10(2)17-13;/h4-7,10,16H,3,8-9H2,1-2H3,(H2,14,15,17);1H
InChIKeyYLZIKNUUCXAKQL-UHFFFAOYSA-N
MW424.31 g/mol
LogP1.04
Rot. Bonds5

About N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide

N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide (PubChem CID 120971670) has the molecular formula C13H21IN4O2S and a molecular weight of 424.31 g/mol. Its IUPAC name is N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
PubChem CID120971670
Molecular FormulaC13H21IN4O2S
Molecular Weight424.31 g/mol
Exact Mass424.04
IUPAC NameN-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
SMILESCCNS(=O)(=O)c1ccc(CNC2=NCC(C)N2)cc1.I
InChIInChI=1S/C13H20N4O2S.HI/c1-3-16-20(18,19)12-6-4-11(5-7-12)9-15-13-14-8-10(2)17-13;/h4-7,10,16H,3,8-9H2,1-2H3,(H2,14,15,17);1H
InChIKeyYLZIKNUUCXAKQL-UHFFFAOYSA-N
XLogP1.04
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide with MolForge

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Related Compounds

N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969436
N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120972739
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
CID 119821871
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide?
The IUPAC name of N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide (CID 120971670) is N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide?
The canonical SMILES for N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide is CCNS(=O)(=O)c1ccc(CNC2=NCC(C)N2)cc1.I.
What is the InChIKey of N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide?
The InChIKey is YLZIKNUUCXAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.HI/c1-3-16-20(18,19)12-6-4-11(5-7-12)9-15-13-14-8-10(2)17-13;/h4-7,10,16H,3,8-9H2,1-2H3,(H2,14,15,17);1H.
What are the key properties of N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide?
N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide has a molecular weight of 424.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide is sourced from PubChem (CID 120971670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).