1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene

C13H10BrClOS — CID 155328574

IUPAC1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene
SMILESCS(=O)c1c(Br)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H10BrClOS/c1-17(16)13-11(6-3-7-12(13)14)9-4-2-5-10(15)8-9/h2-8H,1H3
InChIKeyIJATVRQSFFLGRH-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.51
Rot. Bonds2

About 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene

1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene (PubChem CID 155328574) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene
PubChem CID155328574
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene
SMILESCS(=O)c1c(Br)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H10BrClOS/c1-17(16)13-11(6-3-7-12(13)14)9-4-2-5-10(15)8-9/h2-8H,1H3
InChIKeyIJATVRQSFFLGRH-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(R)-(4-bromophenyl)sulfinyl]methyl]-3-chlorobenzene
CID 139247700
2-Bromo-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-1-methylsulfonylbenzene
CID 21987527
2-Bromo-4-chloro-1-(2-methylsulfonylphenyl)benzene
CID 57175406
4-Bromo-4'-chloro-2-(methylsulfonyl)biphenyl
CID 58521826
4-Bromo-3'-chloro-2-(methylsulfonyl)biphenyl
CID 58521831
4-Bromo-2'-chloro-2-(methylsulfonyl)biphenyl
CID 58522015
1-Bromo-2-(4-chloro-2-methyl-phenylsulfanyl)-benzene
CID 68684292
4-Bromo-8-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369491
4-Bromo-7-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369583
4-Bromo-7-chloro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70820403
4-Bromo-8-chloro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70820406
2-(3-Bromophenyl)-4-chloro-1-ethylsulfonylbenzene
CID 90908947

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene?
The IUPAC name of 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene (CID 155328574) is 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene.
What is the SMILES notation for 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene?
The canonical SMILES for 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene is CS(=O)c1c(Br)cccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene?
The InChIKey is IJATVRQSFFLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-17(16)13-11(6-3-7-12(13)14)9-4-2-5-10(15)8-9/h2-8H,1H3.
What are the key properties of 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene?
1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene has a molecular weight of 329.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-chlorophenyl)-2-methylsulfinylbenzene is sourced from PubChem (CID 155328574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).