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

C13H21IN4O3S — CID 120971940

IUPAC2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
SMILESCOc1ccc(CCNC2=NCCN2C)cc1S(N)(=O)=O.I
InChIInChI=1S/C13H20N4O3S.HI/c1-17-8-7-16-13(17)15-6-5-10-3-4-11(20-2)12(9-10)21(14,18)19;/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H2,14,18,19);1H
InChIKeyJEMKFQBKQMXSQR-UHFFFAOYSA-N
MW440.31 g/mol
LogP0.39
Rot. Bonds5

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

2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide (PubChem CID 120971940) has the molecular formula C13H21IN4O3S and a molecular weight of 440.31 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide.

Molecular Properties

Compound Name2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
PubChem CID120971940
Molecular FormulaC13H21IN4O3S
Molecular Weight440.31 g/mol
Exact Mass440.04
IUPAC Name2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
SMILESCOc1ccc(CCNC2=NCCN2C)cc1S(N)(=O)=O.I
InChIInChI=1S/C13H20N4O3S.HI/c1-17-8-7-16-13(17)15-6-5-10-3-4-11(20-2)12(9-10)21(14,18)19;/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H2,14,18,19);1H
InChIKeyJEMKFQBKQMXSQR-UHFFFAOYSA-N
XLogP0.39
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969269
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133462312
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971253
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide?
The IUPAC name of 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide (CID 120971940) is 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide.
What is the SMILES notation for 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide?
The canonical SMILES for 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide is COc1ccc(CCNC2=NCCN2C)cc1S(N)(=O)=O.I.
What is the InChIKey of 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide?
The InChIKey is JEMKFQBKQMXSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S.HI/c1-17-8-7-16-13(17)15-6-5-10-3-4-11(20-2)12(9-10)21(14,18)19;/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H2,14,18,19);1H.
What are the key properties of 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide?
2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide has a molecular weight of 440.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide is sourced from PubChem (CID 120971940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).