4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide

C13H20N4O2S — CID 120969489

IUPAC4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNC2=NCCN2C)cc1
InChIInChI=1S/C13H20N4O2S/c1-11-3-5-12(6-4-11)20(18,19)16-8-7-14-13-15-9-10-17(13)2/h3-6,16H,7-10H2,1-2H3,(H,14,15)
InChIKeyPUIVOEBGULVNAM-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.16
Rot. Bonds5

About 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide

4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 120969489) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID120969489
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNC2=NCCN2C)cc1
InChIInChI=1S/C13H20N4O2S/c1-11-3-5-12(6-4-11)20(18,19)16-8-7-14-13-15-9-10-17(13)2/h3-6,16H,7-10H2,1-2H3,(H,14,15)
InChIKeyPUIVOEBGULVNAM-UHFFFAOYSA-N
XLogP0.16
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
2-N-(2-methoxyethyl)-4,5-dihydroimidazole-1,2-diamine;4-methylbenzenesulfonic acid
CID 19785366
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969269
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
N-[2-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]-4-methylbenzenesulfonamide
CID 133489213
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide (CID 120969489) is 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCNC2=NCCN2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is PUIVOEBGULVNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-11-3-5-12(6-4-11)20(18,19)16-8-7-14-13-15-9-10-17(13)2/h3-6,16H,7-10H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide?
4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 120969489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).