(4-methoxyphenyl) imidazole-1-sulfonate

C10H10N2O4S — CID 102480912

IUPAC(4-methoxyphenyl) imidazole-1-sulfonate
SMILESCOc1ccc(OS(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C10H10N2O4S/c1-15-9-2-4-10(5-3-9)16-17(13,14)12-7-6-11-8-12/h2-8H,1H3
InChIKeyPPAOPYNHSBBOQK-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.06
Rot. Bonds4

About (4-methoxyphenyl) imidazole-1-sulfonate

(4-methoxyphenyl) imidazole-1-sulfonate (PubChem CID 102480912) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is (4-methoxyphenyl) imidazole-1-sulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl) imidazole-1-sulfonate
PubChem CID102480912
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name(4-methoxyphenyl) imidazole-1-sulfonate
SMILESCOc1ccc(OS(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C10H10N2O4S/c1-15-9-2-4-10(5-3-9)16-17(13,14)12-7-6-11-8-12/h2-8H,1H3
InChIKeyPPAOPYNHSBBOQK-UHFFFAOYSA-N
XLogP1.06
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethoxybenzene-1-sulfonamide
CID 2992109
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
CID 794495
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
CID 24761416
1-[(2,5-diethoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 686069
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882
1-(2,5-Dimethoxyphenyl)sulfonyl-2-propylimidazole
CID 755299

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) imidazole-1-sulfonate?
The IUPAC name of (4-methoxyphenyl) imidazole-1-sulfonate (CID 102480912) is (4-methoxyphenyl) imidazole-1-sulfonate.
What is the SMILES notation for (4-methoxyphenyl) imidazole-1-sulfonate?
The canonical SMILES for (4-methoxyphenyl) imidazole-1-sulfonate is COc1ccc(OS(=O)(=O)n2ccnc2)cc1.
What is the InChIKey of (4-methoxyphenyl) imidazole-1-sulfonate?
The InChIKey is PPAOPYNHSBBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-15-9-2-4-10(5-3-9)16-17(13,14)12-7-6-11-8-12/h2-8H,1H3.
What are the key properties of (4-methoxyphenyl) imidazole-1-sulfonate?
(4-methoxyphenyl) imidazole-1-sulfonate has a molecular weight of 254.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) imidazole-1-sulfonate is sourced from PubChem (CID 102480912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).