(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene

C12H14O2S — CID 15082335

IUPAC(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene
SMILESCC1=C(S(=O)(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C12H14O2S/c1-9-11(12(9,2)3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyBHEHTORRNMUCJA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.77
Rot. Bonds2

About (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene

(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene (PubChem CID 15082335) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene
PubChem CID15082335
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene
SMILESCC1=C(S(=O)(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C12H14O2S/c1-9-11(12(9,2)3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyBHEHTORRNMUCJA-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzenesulfonyl)-4,5,5-trimethylfuran-2-one
CID 12709521
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
CID 555200
2-(benzenesulfonyl)-3-methylquinoxaline
CID 1202768
benzenesulfonylbenzene;oxalic acid
CID 67897674

Frequently Asked Questions

What is the IUPAC name of (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene?
The IUPAC name of (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene (CID 15082335) is (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene.
What is the SMILES notation for (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene?
The canonical SMILES for (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene is CC1=C(S(=O)(=O)c2ccccc2)C1(C)C.
What is the InChIKey of (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene?
The InChIKey is BHEHTORRNMUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-9-11(12(9,2)3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene?
(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene has a molecular weight of 222.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene is sourced from PubChem (CID 15082335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).