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

C14H12BrClOS — CID 155484252

IUPAC1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene
SMILESCCS(=O)c1c(Br)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-2-18(17)14-12(7-4-8-13(14)15)10-5-3-6-11(16)9-10/h3-9H,2H2,1H3
InChIKeyUJWMRAHXXPJKHY-UHFFFAOYSA-N
MW343.67 g/mol
LogP4.90
Rot. Bonds3

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

1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene (PubChem CID 155484252) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene
PubChem CID155484252
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene
SMILESCCS(=O)c1c(Br)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClOS/c1-2-18(17)14-12(7-4-8-13(14)15)10-5-3-6-11(16)9-10/h3-9H,2H2,1H3
InChIKeyUJWMRAHXXPJKHY-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene?
The IUPAC name of 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene (CID 155484252) is 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene.
What is the SMILES notation for 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene?
The canonical SMILES for 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene is CCS(=O)c1c(Br)cccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene?
The InChIKey is UJWMRAHXXPJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c1-2-18(17)14-12(7-4-8-13(14)15)10-5-3-6-11(16)9-10/h3-9H,2H2,1H3.
What are the key properties of 1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene?
1-bromo-3-(3-chlorophenyl)-2-ethylsulfinylbenzene has a molecular weight of 343.67 g/mol, XLogP of 4.90, 3 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-ethylsulfinylbenzene is sourced from PubChem (CID 155484252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).