[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride

C10H12ClN3O3S — CID 45262284

IUPAC[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride
SMILESCc1cn(-c2cccc(OS(N)(=O)=O)c2)cn1.Cl
InChIInChI=1S/C10H11N3O3S.ClH/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15;/h2-7H,1H3,(H2,11,14,15);1H
InChIKeyHRLGYPHKAPYMNM-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.18
Rot. Bonds3

About [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride

[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride (PubChem CID 45262284) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride.

Molecular Properties

Compound Name[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride
PubChem CID45262284
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride
SMILESCc1cn(-c2cccc(OS(N)(=O)=O)c2)cn1.Cl
InChIInChI=1S/C10H11N3O3S.ClH/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15;/h2-7H,1H3,(H2,11,14,15);1H
InChIKeyHRLGYPHKAPYMNM-UHFFFAOYSA-N
XLogP1.18
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfamic acid 3-(1H-imidazol-1-yl)phenyl ester monohydrochloride
CID 45262292
Sulfamic acid 3-(2-methyl-1H-imidazol-1-yl)-phenyl ester monohydrochloride
CID 45262295
2-[3-(4-Methylimidazol-1-yl)phenoxy]ethyl sulfamate;hydrochloride
CID 45262353
Sulfamic acid 2-[3-(1H-imidazol-1-yl)phenoxy]ethyl ester monohydrochloride
CID 45265221
2-[3-(2-Methylimidazol-1-yl)phenoxy]ethyl sulfamate;hydrochloride
CID 45265627
(4-Imidazol-1-ylphenyl) sulfamate;hydrochloride
CID 45262316
(3H-Imidazol-4-ylmethyl)-(3-methoxy-phenyl)-methyl-amine
CID 59728031
3-(1H-Imidazol-1-yl)phenol
CID 10464591
3-(4-methyl-1H-imidazol-1-yl)phenol
CID 10241285
3-(3-imidazol-1-ylphenoxy)-N,N-dimethylpropane-1-sulfonamide
CID 71984755
2-(4-Methyl-1H-imidazol-1-yl)phenol
CID 12913250
1-(3-Methoxyphenyl)-1H-imidazole
CID 20257282

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride?
The IUPAC name of [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride (CID 45262284) is [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride.
What is the SMILES notation for [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride?
The canonical SMILES for [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride is Cc1cn(-c2cccc(OS(N)(=O)=O)c2)cn1.Cl.
What is the InChIKey of [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride?
The InChIKey is HRLGYPHKAPYMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S.ClH/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15;/h2-7H,1H3,(H2,11,14,15);1H.
What are the key properties of [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride?
[3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride has a molecular weight of 289.74 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylimidazol-1-yl)phenyl] sulfamate;hydrochloride is sourced from PubChem (CID 45262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).