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

C13H10BrClOS — CID 155328601

IUPAC4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene
SMILESCS(=O)c1cc(Br)ccc1-c1ccccc1Cl
InChIInChI=1S/C13H10BrClOS/c1-17(16)13-8-9(14)6-7-11(13)10-4-2-3-5-12(10)15/h2-8H,1H3
InChIKeyHAKFNWYYSVMARI-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.51
Rot. Bonds2

About 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene

4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene (PubChem CID 155328601) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene.

Molecular Properties

Compound Name4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene
PubChem CID155328601
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene
SMILESCS(=O)c1cc(Br)ccc1-c1ccccc1Cl
InChIInChI=1S/C13H10BrClOS/c1-17(16)13-8-9(14)6-7-11(13)10-4-2-3-5-12(10)15/h2-8H,1H3
InChIKeyHAKFNWYYSVMARI-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

4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
4-bromo-2-chloro-1-(2-methylphenyl)benzene
CID 174455914
4-bromo-2-(2-chlorophenyl)-1-methylsulfanylbenzene
CID 147030945
4-bromo-1-methoxy-2-[(S)-methylsulfinyl]benzene
CID 165396744
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
5-bromo-2-chlorobenzenesulfinate
CID 174612612
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
1,3-dichloro-2-[(S)-methylsulfinyl]benzene
CID 95212287
6-bromo-1-chloroanthracene-9,10-dione
CID 157462041
5-bromo-2-(2-chlorophenyl)-1H-indole
CID 58200676
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
CID 4713933
4-bromo-2-(2-chlorophenyl)thiophene
CID 175178773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene?
The IUPAC name of 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene (CID 155328601) is 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene.
What is the SMILES notation for 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene?
The canonical SMILES for 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene is CS(=O)c1cc(Br)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene?
The InChIKey is HAKFNWYYSVMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-17(16)13-8-9(14)6-7-11(13)10-4-2-3-5-12(10)15/h2-8H,1H3.
What are the key properties of 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene?
4-bromo-1-(2-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 4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene is sourced from PubChem (CID 155328601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).