2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone

C14H10BrClO3S — CID 64637707

IUPAC2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClO3S/c15-10-4-3-5-11(8-10)20(18,19)9-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2
InChIKeyFAHPASQLWAYUMV-UHFFFAOYSA-N
MW373.66 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone

2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone (PubChem CID 64637707) has the molecular formula C14H10BrClO3S and a molecular weight of 373.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
PubChem CID64637707
Molecular FormulaC14H10BrClO3S
Molecular Weight373.66 g/mol
Exact Mass371.92
IUPAC Name2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C14H10BrClO3S/c15-10-4-3-5-11(8-10)20(18,19)9-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2
InChIKeyFAHPASQLWAYUMV-UHFFFAOYSA-N
XLogP3.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone (CID 64637707) is 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone is O=C(CS(=O)(=O)c1cccc(Br)c1)c1ccccc1Cl.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone?
The InChIKey is FAHPASQLWAYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3S/c15-10-4-3-5-11(8-10)20(18,19)9-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2.
What are the key properties of 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone?
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone has a molecular weight of 373.66 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 64637707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).