2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene

C14H12BrClO2S — CID 90908947

IUPAC2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccc(Cl)cc1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrClO2S/c1-2-19(17,18)14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2H2,1H3
InChIKeyYKQGEPGWZFFOKF-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.56
Rot. Bonds3

About 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene

2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene (PubChem CID 90908947) has the molecular formula C14H12BrClO2S and a molecular weight of 359.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene
PubChem CID90908947
Molecular FormulaC14H12BrClO2S
Molecular Weight359.67 g/mol
Exact Mass357.94
IUPAC Name2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccc(Cl)cc1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrClO2S/c1-2-19(17,18)14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2H2,1H3
InChIKeyYKQGEPGWZFFOKF-UHFFFAOYSA-N
XLogP4.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene?
The IUPAC name of 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene (CID 90908947) is 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene.
What is the SMILES notation for 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene?
The canonical SMILES for 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene is CCS(=O)(=O)c1ccc(Cl)cc1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene?
The InChIKey is YKQGEPGWZFFOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2S/c1-2-19(17,18)14-7-6-12(16)9-13(14)10-4-3-5-11(15)8-10/h3-9H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene?
2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene has a molecular weight of 359.67 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-chloro-1-ethylsulfonylbenzene is sourced from PubChem (CID 90908947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).