7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide

C20H20BrN3O4S — CID 38930369

IUPAC7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cc2)CC1
InChIInChI=1S/C20H20BrN3O4S/c1-23-9-11-24(12-10-23)29(26,27)16-7-5-15(6-8-16)22-20(25)18-13-14-3-2-4-17(21)19(14)28-18/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyUQEVHHKBFVXNEE-UHFFFAOYSA-N
MW478.37 g/mol
LogP3.38
Rot. Bonds4

About 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide

7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 38930369) has the molecular formula C20H20BrN3O4S and a molecular weight of 478.37 g/mol. Its IUPAC name is 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
PubChem CID38930369
Molecular FormulaC20H20BrN3O4S
Molecular Weight478.37 g/mol
Exact Mass477.04
IUPAC Name7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cc2)CC1
InChIInChI=1S/C20H20BrN3O4S/c1-23-9-11-24(12-10-23)29(26,27)16-7-5-15(6-8-16)22-20(25)18-13-14-3-2-4-17(21)19(14)28-18/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyUQEVHHKBFVXNEE-UHFFFAOYSA-N
XLogP3.38
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38887347
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoate
CID 17175247
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 7921841

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide (CID 38930369) is 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cc2)CC1.
What is the InChIKey of 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is UQEVHHKBFVXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4S/c1-23-9-11-24(12-10-23)29(26,27)16-7-5-15(6-8-16)22-20(25)18-13-14-3-2-4-17(21)19(14)28-18/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 478.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).