1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene

C19H24O2S — CID 57430781

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24O2S/c1-14(2)15-6-10-17(11-7-15)22(20,21)18-12-8-16(9-13-18)19(3,4)5/h6-14H,1-5H3
InChIKeyZYXLGDIEAMFCHF-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.94
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene

1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene (PubChem CID 57430781) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
PubChem CID57430781
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24O2S/c1-14(2)15-6-10-17(11-7-15)22(20,21)18-12-8-16(9-13-18)19(3,4)5/h6-14H,1-5H3
InChIKeyZYXLGDIEAMFCHF-UHFFFAOYSA-N
XLogP4.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
4-(4-tert-butylphenyl)sulfonyl-5-methyl-1-(4-propan-2-ylphenyl)triazole
CID 20865727
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
3-(4-tert-butylphenyl)sulfonyloxybutan-2-yl 4-tert-butylbenzenesulfonate
CID 89439343
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene (CID 57430781) is 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene is CC(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene?
The InChIKey is ZYXLGDIEAMFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c1-14(2)15-6-10-17(11-7-15)22(20,21)18-12-8-16(9-13-18)19(3,4)5/h6-14H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene?
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene has a molecular weight of 316.47 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene is sourced from PubChem (CID 57430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).