1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene

C10H11BrO2S — CID 10265396

IUPAC1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
InChIKeyNRPMKZQDDUPSRR-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.51
Rot. Bonds3

About 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene

1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene (PubChem CID 10265396) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene
PubChem CID10265396
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
InChIKeyNRPMKZQDDUPSRR-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-bromophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
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2-(2-bromophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
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2-[(4-Bromophenyl)methanesulfonyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene (CID 10265396) is 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene is C=C(CS(C)(=O)=O)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The InChIKey is NRPMKZQDDUPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3.
What are the key properties of 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene has a molecular weight of 275.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-methylsulfonylprop-1-en-2-yl)benzene is sourced from PubChem (CID 10265396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).