1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene

C12H16O2S — CID 89343699

IUPAC1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H16O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h5-8,10H,1H2,2-4H3
InChIKeyWJAGNTWCPZJRRD-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.90
Rot. Bonds3

About 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene

1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene (PubChem CID 89343699) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
PubChem CID89343699
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H16O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h5-8,10H,1H2,2-4H3
InChIKeyWJAGNTWCPZJRRD-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)prop-2-enenitrile
CID 116843134
CID 88815363
CID 88815363
sodium 4-prop-1-en-2-ylbenzenesulfonate
CID 23696519
2-bromo-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 70700384
2-propan-2-ylsulfonyl-5-prop-1-en-2-ylbenzonitrile
CID 68750501
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
2-methyl-1-[4-(3-oxobutan-2-ylsulfonyl)phenyl]propan-1-one
CID 82164962
N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
CID 136582744
2-(ethylamino)-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 98033362
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene (CID 89343699) is 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene?
The InChIKey is WJAGNTWCPZJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4/h5-8,10H,1H2,2-4H3.
What are the key properties of 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene?
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene has a molecular weight of 224.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 89343699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).