[(E)-4-deuteriobut-1-enyl]sulfonylbenzene

C10H12O2S — CID 10655536

IUPAC[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
SMILES[2H]CC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+/i1D
InChIKeyBBVPPPVGQCBXNT-DUKZNUPFSA-N
MW197.28 g/mol
LogP2.38
Rot. Bonds4

About [(E)-4-deuteriobut-1-enyl]sulfonylbenzene

[(E)-4-deuteriobut-1-enyl]sulfonylbenzene (PubChem CID 10655536) has the molecular formula C10H12O2S and a molecular weight of 197.28 g/mol. Its IUPAC name is [(E)-4-deuteriobut-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
PubChem CID10655536
Molecular FormulaC10H12O2S
Molecular Weight197.28 g/mol
Exact Mass197.06
IUPAC Name[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
SMILES[2H]CC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+/i1D
InChIKeyBBVPPPVGQCBXNT-DUKZNUPFSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326
[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
CID 134980499
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
benzenesulfonic acid;but-1-ene-1-sulfonic acid
CID 162058011
5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
CID 67565575
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
but-1-enyl benzenesulfonate
CID 142644575
(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
CID 19831534

Frequently Asked Questions

What is the IUPAC name of [(E)-4-deuteriobut-1-enyl]sulfonylbenzene?
The IUPAC name of [(E)-4-deuteriobut-1-enyl]sulfonylbenzene (CID 10655536) is [(E)-4-deuteriobut-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-4-deuteriobut-1-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-4-deuteriobut-1-enyl]sulfonylbenzene is [2H]CC/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-4-deuteriobut-1-enyl]sulfonylbenzene?
The InChIKey is BBVPPPVGQCBXNT-DUKZNUPFSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+/i1D.
What are the key properties of [(E)-4-deuteriobut-1-enyl]sulfonylbenzene?
[(E)-4-deuteriobut-1-enyl]sulfonylbenzene has a molecular weight of 197.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-deuteriobut-1-enyl]sulfonylbenzene is sourced from PubChem (CID 10655536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).