N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide

C12H17N3O3S — CID 18789706

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C12H17N3O3S/c1-2-19(16,17)15-10-4-3-5-11(8-10)18-9-12-13-6-7-14-12/h3-5,8,15H,2,6-7,9H2,1H3,(H,13,14)
InChIKeyZKVZIUUGTQTTEQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.83
Rot. Bonds6

About N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide (PubChem CID 18789706) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
PubChem CID18789706
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C12H17N3O3S/c1-2-19(16,17)15-10-4-3-5-11(8-10)18-9-12-13-6-7-14-12/h3-5,8,15H,2,6-7,9H2,1H3,(H,13,14)
InChIKeyZKVZIUUGTQTTEQ-UHFFFAOYSA-N
XLogP0.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
CID 15872086
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride
CID 18789650
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
CID 67595359
N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
CID 11346205
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride
CID 18789715
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
2-[(3,4-dichlorophenoxy)methyl]-4,5-dihydro-1H-imidazole;4-methylbenzenesulfonic acid
CID 20528506
2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
CID 20529064
1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide
CID 155235725
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53117628

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide (CID 18789706) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide?
The InChIKey is ZKVZIUUGTQTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-19(16,17)15-10-4-3-5-11(8-10)18-9-12-13-6-7-14-12/h3-5,8,15H,2,6-7,9H2,1H3,(H,13,14).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 18789706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).