7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C19H17BrN2O5S — CID 38887347

IUPAC7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H17BrN2O5S/c20-16-3-1-2-13-12-17(27-18(13)16)19(23)21-14-4-6-15(7-5-14)28(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11H2,(H,21,23)
InChIKeyDUJUUGPOQXOTDB-UHFFFAOYSA-N
MW465.33 g/mol
LogP3.47
Rot. Bonds4

About 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 38887347) has the molecular formula C19H17BrN2O5S and a molecular weight of 465.33 g/mol. Its IUPAC name is 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID38887347
Molecular FormulaC19H17BrN2O5S
Molecular Weight465.33 g/mol
Exact Mass464.00
IUPAC Name7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H17BrN2O5S/c20-16-3-1-2-13-12-17(27-18(13)16)19(23)21-14-4-6-15(7-5-14)28(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11H2,(H,21,23)
InChIKeyDUJUUGPOQXOTDB-UHFFFAOYSA-N
XLogP3.47
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
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
5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19450312
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 38910561
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 38887347) is 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DUJUUGPOQXOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5S/c20-16-3-1-2-13-12-17(27-18(13)16)19(23)21-14-4-6-15(7-5-14)28(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11H2,(H,21,23).
What are the key properties of 7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 465.33 g/mol, XLogP of 3.47, 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-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38887347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).