(2,2-dichlorocyclopropyl)methylsulfonylbenzene

C10H10Cl2O2S — CID 2729820

IUPAC(2,2-dichlorocyclopropyl)methylsulfonylbenzene
SMILESO=S(=O)(CC1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H10Cl2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeySANAKEQUMSCXGR-UHFFFAOYSA-N
MW265.16 g/mol
LogP2.65
Rot. Bonds3

About (2,2-dichlorocyclopropyl)methylsulfonylbenzene

(2,2-dichlorocyclopropyl)methylsulfonylbenzene (PubChem CID 2729820) has the molecular formula C10H10Cl2O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methylsulfonylbenzene.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methylsulfonylbenzene
PubChem CID2729820
Molecular FormulaC10H10Cl2O2S
Molecular Weight265.16 g/mol
Exact Mass263.98
IUPAC Name(2,2-dichlorocyclopropyl)methylsulfonylbenzene
SMILESO=S(=O)(CC1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H10Cl2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeySANAKEQUMSCXGR-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methylsulfonylbenzene?
The IUPAC name of (2,2-dichlorocyclopropyl)methylsulfonylbenzene (CID 2729820) is (2,2-dichlorocyclopropyl)methylsulfonylbenzene.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methylsulfonylbenzene?
The canonical SMILES for (2,2-dichlorocyclopropyl)methylsulfonylbenzene is O=S(=O)(CC1CC1(Cl)Cl)c1ccccc1.
What is the InChIKey of (2,2-dichlorocyclopropyl)methylsulfonylbenzene?
The InChIKey is SANAKEQUMSCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (2,2-dichlorocyclopropyl)methylsulfonylbenzene?
(2,2-dichlorocyclopropyl)methylsulfonylbenzene has a molecular weight of 265.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methylsulfonylbenzene is sourced from PubChem (CID 2729820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).