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

C9H10ClN3O3S — CID 45262316

IUPAC(4-imidazol-1-ylphenyl) sulfamate;hydrochloride
SMILESCl.NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12;/h1-7H,(H2,10,13,14);1H
InChIKeySKDOTPGCIOLGMU-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.88
Rot. Bonds3

About (4-imidazol-1-ylphenyl) sulfamate;hydrochloride

(4-imidazol-1-ylphenyl) sulfamate;hydrochloride (PubChem CID 45262316) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl) sulfamate;hydrochloride.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl) sulfamate;hydrochloride
PubChem CID45262316
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name(4-imidazol-1-ylphenyl) sulfamate;hydrochloride
SMILESCl.NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12;/h1-7H,(H2,10,13,14);1H
InChIKeySKDOTPGCIOLGMU-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
1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
1-(4-Butoxy-phenyl)-1H-imidazole
CID 11321889
Ahr 16329
CID 192270
Sulfamic acid 2-(4-imidazol-1-yl-phenoxy)-ethyl ester; hydrochloride
CID 192271
[6-(4-Imidazol-1-yl-phenoxy)-hexyl]-dimethyl-amine
CID 10108128
1-(4-Butoxy-phenyl)-2-methyl-1H-imidazole
CID 11148936
[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-dimethyl-amine
CID 44341241
[3-(4-Imidazol-1-yl-phenoxy)-propyl]-dimethyl-amine
CID 44341461
[3-(4-Methylimidazol-1-yl)phenyl] sulfamate;hydrochloride
CID 45262284
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

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The IUPAC name of (4-imidazol-1-ylphenyl) sulfamate;hydrochloride (CID 45262316) is (4-imidazol-1-ylphenyl) sulfamate;hydrochloride.
What is the SMILES notation for (4-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The canonical SMILES for (4-imidazol-1-ylphenyl) sulfamate;hydrochloride is Cl.NS(=O)(=O)Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl) sulfamate;hydrochloride?
The InChIKey is SKDOTPGCIOLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S.ClH/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12;/h1-7H,(H2,10,13,14);1H.
What are the key properties of (4-imidazol-1-ylphenyl) sulfamate;hydrochloride?
(4-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 (4-imidazol-1-ylphenyl) sulfamate;hydrochloride is sourced from PubChem (CID 45262316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).