[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone

C22H14BrClO4S — CID 3796343

IUPAC[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H14BrClO4S/c23-15-7-11-17(12-8-15)29(26,27)13-19-18-3-1-2-4-20(18)28-22(19)21(25)14-5-9-16(24)10-6-14/h1-12H,13H2
InChIKeyOUERYPHXMPLUQU-UHFFFAOYSA-N
MW489.77 g/mol
LogP6.05
Rot. Bonds5

About [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone

[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone (PubChem CID 3796343) has the molecular formula C22H14BrClO4S and a molecular weight of 489.77 g/mol. Its IUPAC name is [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
PubChem CID3796343
Molecular FormulaC22H14BrClO4S
Molecular Weight489.77 g/mol
Exact Mass487.95
IUPAC Name[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H14BrClO4S/c23-15-7-11-17(12-8-15)29(26,27)13-19-18-3-1-2-4-20(18)28-22(19)21(25)14-5-9-16(24)10-6-14/h1-12H,13H2
InChIKeyOUERYPHXMPLUQU-UHFFFAOYSA-N
XLogP6.05
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.77
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[(R)-(4-bromophenyl)sulfinyl]methyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
CID 40845236
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
(4-chlorophenyl)-[3-[[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-1-benzofuran-2-yl]methanone
CID 40822655
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 137124147
(2-bromonaphtho[2,1-b][1]benzofuran-6-yl)-(4-chlorophenyl)methanone
CID 102584637
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
[2-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]-phenylmethanone
CID 139050102

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone (CID 3796343) is [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
The InChIKey is OUERYPHXMPLUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClO4S/c23-15-7-11-17(12-8-15)29(26,27)13-19-18-3-1-2-4-20(18)28-22(19)21(25)14-5-9-16(24)10-6-14/h1-12H,13H2.
What are the key properties of [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone?
[3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone has a molecular weight of 489.77 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)sulfonylmethyl]-1-benzofuran-2-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 3796343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).