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

C11H18ClN3O4S — CID 18789650

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl.O
InChIInChI=1S/C11H15N3O3S.ClH.H2O/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);1H;1H2
InChIKeyMXOPCZNZOIIOTF-UHFFFAOYSA-N
MW323.80 g/mol
LogP0.04
Rot. Bonds5

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

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride (PubChem CID 18789650) has the molecular formula C11H18ClN3O4S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride
PubChem CID18789650
Molecular FormulaC11H18ClN3O4S
Molecular Weight323.80 g/mol
Exact Mass323.07
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl.O
InChIInChI=1S/C11H15N3O3S.ClH.H2O/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);1H;1H2
InChIKeyMXOPCZNZOIIOTF-UHFFFAOYSA-N
XLogP0.04
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 50.04
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]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
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
CID 159061331
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride (CID 18789650) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride is CS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1.Cl.O.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride?
The InChIKey is MXOPCZNZOIIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S.ClH.H2O/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);1H;1H2.
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]methanesulfonamide;hydrate;hydrochloride has a molecular weight of 323.80 g/mol, XLogP of 0.04, 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;hydrate;hydrochloride is sourced from PubChem (CID 18789650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).