buta-2,3-dien-2-ylsulfonylbenzene

C10H10O2S — CID 11830311

IUPACbuta-2,3-dien-2-ylsulfonylbenzene
SMILESC=C=C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h4-8H,1H2,2H3
InChIKeyKTSAIPWECWZVOX-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.15
Rot. Bonds2

About buta-2,3-dien-2-ylsulfonylbenzene

buta-2,3-dien-2-ylsulfonylbenzene (PubChem CID 11830311) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is buta-2,3-dien-2-ylsulfonylbenzene.

Molecular Properties

Compound Namebuta-2,3-dien-2-ylsulfonylbenzene
PubChem CID11830311
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Namebuta-2,3-dien-2-ylsulfonylbenzene
SMILESC=C=C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h4-8H,1H2,2H3
InChIKeyKTSAIPWECWZVOX-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-en-2-ylsulfonylbenzene
CID 85377514
1-but-2-ynoxybuta-2,3-dien-2-ylsulfonylbenzene
CID 16724428
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
7-iodohepta-1,2-dien-3-ylsulfonylbenzene
CID 15751078
1-cyclopentylideneethylsulfonylbenzene
CID 12022055
(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
CID 134090409
1-prop-2-enoxybuta-2,3-dien-2-ylsulfonylbenzene
CID 15758903
dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-[2-(benzenesulfonyl)prop-2-enyl]propanedioate
CID 10767849
(3Z)-3-(benzenesulfonyl)-4-chloro-5-methylhexa-3,5-dien-2-one
CID 102428967
2-(benzenesulfonyl)prop-2-enyl acetate
CID 91999686
(1-chloro-3-methylpenta-1,2-dienyl)sulfonylbenzene
CID 134922038
N-[2-(benzenesulfonyl)buta-2,3-dienyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 102175793

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dien-2-ylsulfonylbenzene?
The IUPAC name of buta-2,3-dien-2-ylsulfonylbenzene (CID 11830311) is buta-2,3-dien-2-ylsulfonylbenzene.
What is the SMILES notation for buta-2,3-dien-2-ylsulfonylbenzene?
The canonical SMILES for buta-2,3-dien-2-ylsulfonylbenzene is C=C=C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of buta-2,3-dien-2-ylsulfonylbenzene?
The InChIKey is KTSAIPWECWZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h4-8H,1H2,2H3.
What are the key properties of buta-2,3-dien-2-ylsulfonylbenzene?
buta-2,3-dien-2-ylsulfonylbenzene has a molecular weight of 194.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dien-2-ylsulfonylbenzene is sourced from PubChem (CID 11830311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).