1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene

C10H12O2S — CID 5463123

IUPAC1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene
SMILESC/C=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-8H,1-2H3/b8-3+
InChIKeyBWSQJQVNZGJZDB-FPYGCLRLSA-N
MW196.27 g/mol
LogP2.30
Rot. Bonds2

About 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene

1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene (PubChem CID 5463123) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene
PubChem CID5463123
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene
SMILESC/C=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-8H,1-2H3/b8-3+
InChIKeyBWSQJQVNZGJZDB-FPYGCLRLSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene (CID 5463123) is 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene is C/C=C/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene?
The InChIKey is BWSQJQVNZGJZDB-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-8H,1-2H3/b8-3+.
What are the key properties of 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene?
1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene has a molecular weight of 196.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-prop-1-enyl]sulfonylbenzene is sourced from PubChem (CID 5463123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).