1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene

C10H12O2S — CID 16686735

IUPAC1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene
SMILES[2H]/C=C(\C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3/i1D/b8-1+
InChIKeyFNWOMDYVPDCDJB-VMXSNMPISA-N
MW197.28 g/mol
LogP2.30
Rot. Bonds2

About 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene

1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene (PubChem CID 16686735) has the molecular formula C10H12O2S and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene
PubChem CID16686735
Molecular FormulaC10H12O2S
Molecular Weight197.28 g/mol
Exact Mass197.06
IUPAC Name1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene
SMILES[2H]/C=C(\C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3/i1D/b8-1+
InChIKeyFNWOMDYVPDCDJB-VMXSNMPISA-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 ≤ 500197.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-(1-iodoethenylsulfonyl)-4-methylbenzene
CID 174930714
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
4-methylbenzenesulfonic acid
CID 157221593
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
magnesium bis(4-methylbenzenesulfonate)
CID 12011810
1-(1-iodo-3-methylbut-2-en-2-yl)sulfonyl-4-methylbenzene
CID 121007645

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene (CID 16686735) is 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene is [2H]/C=C(\C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene?
The InChIKey is FNWOMDYVPDCDJB-VMXSNMPISA-N. The full InChI is InChI=1S/C10H12O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3/i1D/b8-1+.
What are the key properties of 1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene?
1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene has a molecular weight of 197.28 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-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 16686735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).