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

C11H15N3O3S — CID 15872086

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C11H15N3O3S/c1-18(15,16)14-9-3-2-4-10(7-9)17-8-11-12-5-6-13-11/h2-4,7,14H,5-6,8H2,1H3,(H,12,13)
InChIKeyAAVUOALQPMORSP-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.44
Rot. Bonds5

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

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide (PubChem CID 15872086) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
PubChem CID15872086
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1
InChIInChI=1S/C11H15N3O3S/c1-18(15,16)14-9-3-2-4-10(7-9)17-8-11-12-5-6-13-11/h2-4,7,14H,5-6,8H2,1H3,(H,12,13)
InChIKeyAAVUOALQPMORSP-UHFFFAOYSA-N
XLogP0.44
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.44
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;hydrate;hydrochloride
CID 18789650
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
CID 18789706
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
CID 67595359
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzamide;hydrochloride
CID 18789715
2-[(3,4-dichlorophenoxy)methyl]-4,5-dihydro-1H-imidazole;4-methylbenzenesulfonic acid
CID 20528506
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
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
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
N-[3-(4-methoxyphenoxy)phenyl]methanesulfonamide
CID 22168206
N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
CID 11346205

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide (CID 15872086) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
The InChIKey is AAVUOALQPMORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18(15,16)14-9-3-2-4-10(7-9)17-8-11-12-5-6-13-11/h2-4,7,14H,5-6,8H2,1H3,(H,12,13).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.44, 5 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]methanesulfonamide is sourced from PubChem (CID 15872086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).