(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone

C11H5BrCl2OS — CID 80531681

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H5BrCl2OS/c12-11-8(14)5-9(16-11)10(15)6-2-1-3-7(13)4-6/h1-5H
InChIKeyGHJOOLZXQXRIGE-UHFFFAOYSA-N
MW336.04 g/mol
LogP5.05
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone (PubChem CID 80531681) has the molecular formula C11H5BrCl2OS and a molecular weight of 336.04 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
PubChem CID80531681
Molecular FormulaC11H5BrCl2OS
Molecular Weight336.04 g/mol
Exact Mass333.86
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H5BrCl2OS/c12-11-8(14)5-9(16-11)10(15)6-2-1-3-7(13)4-6/h1-5H
InChIKeyGHJOOLZXQXRIGE-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.04
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
CID 107960103
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 80531762
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone (CID 80531681) is (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone?
The InChIKey is GHJOOLZXQXRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2OS/c12-11-8(14)5-9(16-11)10(15)6-2-1-3-7(13)4-6/h1-5H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone has a molecular weight of 336.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 80531681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).