4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen

C14H20N2O2S — CID 145374107

IUPAC4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen
SMILESCc1[nH]cnc1S(=O)(=O)c1ccc(C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C14H18N2O2S.H2/c1-10-13(16-9-15-10)19(17,18)12-7-5-11(6-8-12)14(2,3)4;/h5-9H,1-4H3,(H,15,16);1H
InChIKeyHPHPOLNUJKFIHD-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.09
Rot. Bonds2

About 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen

4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen (PubChem CID 145374107) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen
PubChem CID145374107
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen
SMILESCc1[nH]cnc1S(=O)(=O)c1ccc(C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C14H18N2O2S.H2/c1-10-13(16-9-15-10)19(17,18)12-7-5-11(6-8-12)14(2,3)4;/h5-9H,1-4H3,(H,15,16);1H
InChIKeyHPHPOLNUJKFIHD-UHFFFAOYSA-N
XLogP3.09
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
5-butyl-4-(4-methylphenyl)sulfonyl-1H-pyrimidin-6-one
CID 136798990
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
zinc bis(4-tert-butylbenzenesulfonate)
CID 139716478
4-(4-tert-butylphenyl)sulfonyl-5-methyl-1-(4-propan-2-ylphenyl)triazole
CID 20865727
(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
CID 3494160
p-t-Butylbenzenesulfonamide potassium
CID 66748434
2-(4-tert-butylphenyl)sulfonylaniline
CID 71398614
[tris(4-tert-butylphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 57294246
methylsulfonyl-[tris(4-tert-butylphenyl)-λ4-sulfanyl]oxidanium
CID 57183469

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen?
The IUPAC name of 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen (CID 145374107) is 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen is Cc1[nH]cnc1S(=O)(=O)c1ccc(C(C)(C)C)cc1.[H][H].
What is the InChIKey of 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen?
The InChIKey is HPHPOLNUJKFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S.H2/c1-10-13(16-9-15-10)19(17,18)12-7-5-11(6-8-12)14(2,3)4;/h5-9H,1-4H3,(H,15,16);1H.
What are the key properties of 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen?
4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen has a molecular weight of 280.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 145374107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).