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

C14H10BrClO2S — CID 64636245

IUPAC2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)c1cccc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClO2S/c15-11-4-2-6-13(8-11)19(18)9-14(17)10-3-1-5-12(16)7-10/h1-8H,9H2
InChIKeyQOHHQVFZAGCBMH-UHFFFAOYSA-N
MW357.66 g/mol
LogP4.09
Rot. Bonds4

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

2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone (PubChem CID 64636245) has the molecular formula C14H10BrClO2S and a molecular weight of 357.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
PubChem CID64636245
Molecular FormulaC14H10BrClO2S
Molecular Weight357.66 g/mol
Exact Mass355.93
IUPAC Name2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)c1cccc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10BrClO2S/c15-11-4-2-6-13(8-11)19(18)9-14(17)10-3-1-5-12(16)7-10/h1-8H,9H2
InChIKeyQOHHQVFZAGCBMH-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(3-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64635118
2-(3-chlorophenyl)sulfinyl-1-(3-nitrophenyl)ethanone
CID 64635868
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
CID 64641102
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone (CID 64636245) is 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone is O=C(CS(=O)c1cccc(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone?
The InChIKey is QOHHQVFZAGCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2S/c15-11-4-2-6-13(8-11)19(18)9-14(17)10-3-1-5-12(16)7-10/h1-8H,9H2.
What are the key properties of 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone?
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone has a molecular weight of 357.66 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 64636245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).