4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

C19H21N3O2S — CID 3792751

IUPAC4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3
InChIKeyXQABBHBFHWHMKF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.97
Rot. Bonds4

About 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 3792751) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID3792751
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3
InChIKeyXQABBHBFHWHMKF-UHFFFAOYSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (CID 3792751) is 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is XQABBHBFHWHMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).