1-bromo-2-(1-methylsulfonylcyclopropyl)benzene

C10H11BrO2S — CID 115050949

IUPAC1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1(c2ccccc2Br)CC1
InChIInChI=1S/C10H11BrO2S/c1-14(12,13)10(6-7-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyYZSBQILFTXJBTR-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.48
Rot. Bonds2

About 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene

1-bromo-2-(1-methylsulfonylcyclopropyl)benzene (PubChem CID 115050949) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
PubChem CID115050949
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1(c2ccccc2Br)CC1
InChIInChI=1S/C10H11BrO2S/c1-14(12,13)10(6-7-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyYZSBQILFTXJBTR-UHFFFAOYSA-N
XLogP2.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene?
The IUPAC name of 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene (CID 115050949) is 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene?
The canonical SMILES for 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene is CS(=O)(=O)C1(c2ccccc2Br)CC1.
What is the InChIKey of 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene?
The InChIKey is YZSBQILFTXJBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-14(12,13)10(6-7-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3.
What are the key properties of 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene?
1-bromo-2-(1-methylsulfonylcyclopropyl)benzene has a molecular weight of 275.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-methylsulfonylcyclopropyl)benzene is sourced from PubChem (CID 115050949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).