(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone

C15H7BrCl2OS — CID 81141972

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H7BrCl2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7H
InChIKeySVWBXSUNXYVANU-UHFFFAOYSA-N
MW386.10 g/mol
LogP6.20
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone

(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone (PubChem CID 81141972) has the molecular formula C15H7BrCl2OS and a molecular weight of 386.10 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
PubChem CID81141972
Molecular FormulaC15H7BrCl2OS
Molecular Weight386.10 g/mol
Exact Mass383.88
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H7BrCl2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7H
InChIKeySVWBXSUNXYVANU-UHFFFAOYSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.10
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219795
(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
CID 81142488
(7-bromo-1-benzothiophen-3-yl)-(2,4-diaminophenyl)methanone
CID 81148188
1-(7-bromo-1-benzothiophen-3-yl)-3-chloropropan-1-one
CID 104645888
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
(3-amino-2,5-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 107123742
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
(7-bromo-1-benzothiophen-3-yl)-cycloheptylmethanone
CID 81142341
(2,4-dibromophenyl)-(2,3-dichlorophenyl)methanone
CID 107944424
(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
CID 81142563
(3-amino-2,6-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 81129607
(7-bromo-1-benzothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 81131811

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone (CID 81141972) is (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone is O=C(c1cccc(Cl)c1Cl)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone?
The InChIKey is SVWBXSUNXYVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone?
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone has a molecular weight of 386.10 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 81141972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).