[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate

C15H20N2O3S — CID 135076279

IUPAC[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)n1ccnc1
InChIInChI=1S/C15H20N2O3S/c1-11(2)13-6-5-7-14(12(3)4)15(13)20-21(18,19)17-9-8-16-10-17/h5-12H,1-4H3
InChIKeyWMKSNZMIESCWPC-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.30
Rot. Bonds5

About [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate

[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate (PubChem CID 135076279) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate
PubChem CID135076279
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)n1ccnc1
InChIInChI=1S/C15H20N2O3S/c1-11(2)13-6-5-7-14(12(3)4)15(13)20-21(18,19)17-9-8-16-10-17/h5-12H,1-4H3
InChIKeyWMKSNZMIESCWPC-UHFFFAOYSA-N
XLogP3.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 1H-imidazole-1-sulfonate
CID 90409877
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
[3-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 102480911
1-(3-Fluoro-4-propan-2-ylphenoxy)imidazole
CID 176770902
(2-Trimethylsilylphenyl) imidazole-1-sulfonate
CID 57521405
(3,5-Dimethylphenyl) imidazole-1-sulfonate
CID 102591651
Naphthalen-2-yl imidazole-1-sulfonate
CID 42604972
(4-Ethylphenyl) imidazole-1-sulfonate
CID 60203248
2-[2-(3-Methylimidazol-3-ium-1-yl)ethyliminomethyl]phenol
CID 136612108
4-cyclopentylphenyl 1H-imidazole-1-sulfonate
CID 155926220
[4-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 56647462
[4-(Trifluoromethyl)phenyl] 2-methylimidazole-1-sulfonate
CID 66574205

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate (CID 135076279) is [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate is CC(C)c1cccc(C(C)C)c1OS(=O)(=O)n1ccnc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate?
The InChIKey is WMKSNZMIESCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(2)13-6-5-7-14(12(3)4)15(13)20-21(18,19)17-9-8-16-10-17/h5-12H,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate?
[2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate has a molecular weight of 308.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] imidazole-1-sulfonate is sourced from PubChem (CID 135076279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).