6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C22H16BrNO4S — CID 155234394

IUPAC6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C22H16BrNO4S/c1-14-11-16(23)12-19-18(14)13-20(28-19)22(25)24-29(26,27)21-10-6-5-9-17(21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)
InChIKeyLZHFVJMYXRBVHS-UHFFFAOYSA-N
MW470.34 g/mol
LogP5.29
Rot. Bonds4

About 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234394) has the molecular formula C22H16BrNO4S and a molecular weight of 470.34 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234394
Molecular FormulaC22H16BrNO4S
Molecular Weight470.34 g/mol
Exact Mass469.00
IUPAC Name6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C22H16BrNO4S/c1-14-11-16(23)12-19-18(14)13-20(28-19)22(25)24-29(26,27)21-10-6-5-9-17(21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)
InChIKeyLZHFVJMYXRBVHS-UHFFFAOYSA-N
XLogP5.29
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234224
6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234475
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234510
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234416
1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
CID 142661395
N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide
CID 166596519
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
CID 43549971

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155234394) is 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is Cc1cc(Br)cc2oc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)cc12.
What is the InChIKey of 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is LZHFVJMYXRBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO4S/c1-14-11-16(23)12-19-18(14)13-20(28-19)22(25)24-29(26,27)21-10-6-5-9-17(21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25).
What are the key properties of 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 470.34 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).