2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone

C12H8BrClO3S2 — CID 64637513

IUPAC2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO3S2/c13-8-2-1-3-9(6-8)19(16,17)7-10(15)11-4-5-12(14)18-11/h1-6H,7H2
InChIKeyCFBIMZMPOUHVTO-UHFFFAOYSA-N
MW379.68 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone

2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 64637513) has the molecular formula C12H8BrClO3S2 and a molecular weight of 379.68 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID64637513
Molecular FormulaC12H8BrClO3S2
Molecular Weight379.68 g/mol
Exact Mass377.88
IUPAC Name2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO3S2/c13-8-2-1-3-9(6-8)19(16,17)7-10(15)11-4-5-12(14)18-11/h1-6H,7H2
InChIKeyCFBIMZMPOUHVTO-UHFFFAOYSA-N
XLogP3.82
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfonylethanone
CID 64635830
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
5-[(3-bromophenyl)sulfonylmethyl]thiophene-2-carboxylic acid
CID 63378264
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone
CID 64635195
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
1-(5-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)sulfonylethanone
CID 64641563
2-(3-bromophenyl)sulfonyl-1-(oxolan-3-yl)ethanone
CID 104756164
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
CID 64642312

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone (CID 64637513) is 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone is O=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is CFBIMZMPOUHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO3S2/c13-8-2-1-3-9(6-8)19(16,17)7-10(15)11-4-5-12(14)18-11/h1-6H,7H2.
What are the key properties of 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone?
2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 379.68 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 64637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).