(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone

C12H9BrO3S2 — CID 61102051

IUPAC(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H9BrO3S2/c1-18(15,16)9-4-2-8(3-5-9)12(14)10-6-7-11(13)17-10/h2-7H,1H3
InChIKeyPGOPYOSELNFORN-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.15
Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone

(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 61102051) has the molecular formula C12H9BrO3S2 and a molecular weight of 345.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID61102051
Molecular FormulaC12H9BrO3S2
Molecular Weight345.24 g/mol
Exact Mass343.92
IUPAC Name(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H9BrO3S2/c1-18(15,16)9-4-2-8(3-5-9)12(14)10-6-7-11(13)17-10/h2-7H,1H3
InChIKeyPGOPYOSELNFORN-UHFFFAOYSA-N
XLogP3.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanone
CID 43338791
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967413
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258191
[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611700
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone (CID 61102051) is (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is PGOPYOSELNFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3S2/c1-18(15,16)9-4-2-8(3-5-9)12(14)10-6-7-11(13)17-10/h2-7H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone?
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 345.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 61102051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).