5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide

C26H20N2O4S — CID 25037352

IUPAC5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H20N2O4S/c1-17-24(26(29)27-18-10-4-2-5-11-18)22-16-23(20-14-8-9-15-21(20)25(22)32-17)28-33(30,31)19-12-6-3-7-13-19/h2-16,28H,1H3,(H,27,29)
InChIKeyJRIGSOJMFHWAKJ-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.95
Rot. Bonds5

About 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide

5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide (PubChem CID 25037352) has the molecular formula C26H20N2O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
PubChem CID25037352
Molecular FormulaC26H20N2O4S
Molecular Weight456.52 g/mol
Exact Mass456.11
IUPAC Name5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H20N2O4S/c1-17-24(26(29)27-18-10-4-2-5-11-18)22-16-23(20-14-8-9-15-21(20)25(22)32-17)28-33(30,31)19-12-6-3-7-13-19/h2-16,28H,1H3,(H,27,29)
InChIKeyJRIGSOJMFHWAKJ-UHFFFAOYSA-N
XLogP5.95
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
CID 25037370
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide (CID 25037352) is 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide is Cc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The InChIKey is JRIGSOJMFHWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S/c1-17-24(26(29)27-18-10-4-2-5-11-18)22-16-23(20-14-8-9-15-21(20)25(22)32-17)28-33(30,31)19-12-6-3-7-13-19/h2-16,28H,1H3,(H,27,29).
What are the key properties of 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide is sourced from PubChem (CID 25037352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).