cyclopropylsulfonylbenzene

C9H10O2S — CID 11309899

IUPACcyclopropylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C9H10O2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyASCDEFWCUMHIMI-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.62
Rot. Bonds2

About cyclopropylsulfonylbenzene

cyclopropylsulfonylbenzene (PubChem CID 11309899) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is cyclopropylsulfonylbenzene.

Molecular Properties

Compound Namecyclopropylsulfonylbenzene
PubChem CID11309899
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Namecyclopropylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C9H10O2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyASCDEFWCUMHIMI-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylsulfonylbenzene?
The IUPAC name of cyclopropylsulfonylbenzene (CID 11309899) is cyclopropylsulfonylbenzene.
What is the SMILES notation for cyclopropylsulfonylbenzene?
The canonical SMILES for cyclopropylsulfonylbenzene is O=S(=O)(c1ccccc1)C1CC1.
What is the InChIKey of cyclopropylsulfonylbenzene?
The InChIKey is ASCDEFWCUMHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of cyclopropylsulfonylbenzene?
cyclopropylsulfonylbenzene has a molecular weight of 182.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylsulfonylbenzene is sourced from PubChem (CID 11309899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).