1-(4-bromophenyl)sulfonyl-4-methylbenzene

C13H11BrO2S — CID 11426909

IUPAC1-(4-bromophenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3
InChIKeyHFORIYQHAWLZJQ-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.59
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-4-methylbenzene

1-(4-bromophenyl)sulfonyl-4-methylbenzene (PubChem CID 11426909) has the molecular formula C13H11BrO2S and a molecular weight of 311.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-methylbenzene
PubChem CID11426909
Molecular FormulaC13H11BrO2S
Molecular Weight311.20 g/mol
Exact Mass309.97
IUPAC Name1-(4-bromophenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3
InChIKeyHFORIYQHAWLZJQ-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
2,5-dibromo-3,6-bis-(4-methylphenyl)sulfonylcyclohexa-2,5-diene-1,4-dione
CID 23048682
3-(4-bromophenyl)-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
CID 10992907
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1-(4-bromophenyl)-4-(4-fluorophenyl)sulfonylbenzene
CID 70397895
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylbenzene?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylbenzene (CID 11426909) is 1-(4-bromophenyl)sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-methylbenzene?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-methylbenzene?
The InChIKey is HFORIYQHAWLZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-methylbenzene?
1-(4-bromophenyl)sulfonyl-4-methylbenzene has a molecular weight of 311.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-methylbenzene is sourced from PubChem (CID 11426909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).