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

C11H16N4O2S — CID 11346205

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1
InChIInChI=1S/C11H16N4O2S/c1-2-18(16,17)15-10-5-3-4-9(8-10)14-11-12-6-7-13-11/h3-5,8,15H,2,6-7H2,1H3,(H2,12,13,14)
InChIKeyRZEGHSDKJRGUFM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.82
Rot. Bonds4

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

N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide (PubChem CID 11346205) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
PubChem CID11346205
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1
InChIInChI=1S/C11H16N4O2S/c1-2-18(16,17)15-10-5-3-4-9(8-10)14-11-12-6-7-13-11/h3-5,8,15H,2,6-7H2,1H3,(H2,12,13,14)
InChIKeyRZEGHSDKJRGUFM-UHFFFAOYSA-N
XLogP0.82
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
CID 18789706
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
CID 21306708
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
CID 70450555
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
CID 122517146

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide (CID 11346205) is N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide?
The InChIKey is RZEGHSDKJRGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-18(16,17)15-10-5-3-4-9(8-10)14-11-12-6-7-13-11/h3-5,8,15H,2,6-7H2,1H3,(H2,12,13,14).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 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-ylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 11346205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).