(3-imidazol-1-ylphenyl) sulfamate;hydrochloride

C9H10ClN3O3S — CID 45262292

IUPAC(3-imidazol-1-ylphenyl) sulfamate;hydrochloride
SMILESCl.NS(=O)(=O)Oc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12;/h1-7H,(H2,10,13,14);1H
InChIKeyZMFOIWNTTZHBQW-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.88
Rot. Bonds3

About (3-imidazol-1-ylphenyl) sulfamate;hydrochloride

(3-imidazol-1-ylphenyl) sulfamate;hydrochloride (PubChem CID 45262292) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is (3-imidazol-1-ylphenyl) sulfamate;hydrochloride.

Molecular Properties

Compound Name(3-imidazol-1-ylphenyl) sulfamate;hydrochloride
PubChem CID45262292
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name(3-imidazol-1-ylphenyl) sulfamate;hydrochloride
SMILESCl.NS(=O)(=O)Oc1cccc(-n2ccnc2)c1
InChIInChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12;/h1-7H,(H2,10,13,14);1H
InChIKeyZMFOIWNTTZHBQW-UHFFFAOYSA-N
XLogP0.88
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(p-Hydroxyphenyl)imidazole
CID 82315
[3-(4-Methylimidazol-1-yl)phenyl] sulfamate;hydrochloride
CID 45262284
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
3-(1H-Imidazol-1-yl)phenol
CID 10464591
3-(4-methyl-1H-imidazol-1-yl)phenol
CID 10241285
4-(1H-imidazol-1-yl)-2-methoxyaniline
CID 58314212
3-(3-imidazol-1-ylphenoxy)-N,N-dimethylpropane-1-sulfonamide
CID 71984755
3-(2-(3-Methoxyanilino)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium chloride
CID 126958505

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The IUPAC name of (3-imidazol-1-ylphenyl) sulfamate;hydrochloride (CID 45262292) is (3-imidazol-1-ylphenyl) sulfamate;hydrochloride.
What is the SMILES notation for (3-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The canonical SMILES for (3-imidazol-1-ylphenyl) sulfamate;hydrochloride is Cl.NS(=O)(=O)Oc1cccc(-n2ccnc2)c1.
What is the InChIKey of (3-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The InChIKey is ZMFOIWNTTZHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12;/h1-7H,(H2,10,13,14);1H.
What are the key properties of (3-imidazol-1-ylphenyl) sulfamate;hydrochloride?
(3-imidazol-1-ylphenyl) sulfamate;hydrochloride has a molecular weight of 275.72 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-ylphenyl) sulfamate;hydrochloride is sourced from PubChem (CID 45262292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).