4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene

C13H9BrCl2O2S — CID 57481697

IUPAC4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene
SMILESO=S(=O)(Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrCl2O2S/c14-10-4-5-12(16)13(7-10)19(17,18)8-9-2-1-3-11(15)6-9/h1-7H,8H2
InChIKeyOSHIJVDLSFYGMK-UHFFFAOYSA-N
MW380.09 g/mol
LogP4.73
Rot. Bonds3

About 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene

4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene (PubChem CID 57481697) has the molecular formula C13H9BrCl2O2S and a molecular weight of 380.09 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene
PubChem CID57481697
Molecular FormulaC13H9BrCl2O2S
Molecular Weight380.09 g/mol
Exact Mass377.89
IUPAC Name4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene
SMILESO=S(=O)(Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrCl2O2S/c14-10-4-5-12(16)13(7-10)19(17,18)8-9-2-1-3-11(15)6-9/h1-7H,8H2
InChIKeyOSHIJVDLSFYGMK-UHFFFAOYSA-N
XLogP4.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene (CID 57481697) is 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene is O=S(=O)(Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene?
The InChIKey is OSHIJVDLSFYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O2S/c14-10-4-5-12(16)13(7-10)19(17,18)8-9-2-1-3-11(15)6-9/h1-7H,8H2.
What are the key properties of 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene?
4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene has a molecular weight of 380.09 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[(3-chlorophenyl)methylsulfonyl]benzene is sourced from PubChem (CID 57481697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).