ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate

C27H21NO5S — CID 1490255

IUPACethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C27H21NO5S/c1-2-32-27(29)24-22-17-23(28-34(30,31)19-13-7-4-8-14-19)20-15-9-10-16-21(20)26(22)33-25(24)18-11-5-3-6-12-18/h3-17,28H,2H2,1H3
InChIKeyPJKPENUAVCBHSN-UHFFFAOYSA-N
MW471.53 g/mol
LogP6.23
Rot. Bonds6

About ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate

ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate (PubChem CID 1490255) has the molecular formula C27H21NO5S and a molecular weight of 471.53 g/mol. Its IUPAC name is ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
PubChem CID1490255
Molecular FormulaC27H21NO5S
Molecular Weight471.53 g/mol
Exact Mass471.11
IUPAC Nameethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc12
InChIInChI=1S/C27H21NO5S/c1-2-32-27(29)24-22-17-23(28-34(30,31)19-13-7-4-8-14-19)20-15-9-10-16-21(20)26(22)33-25(24)18-11-5-3-6-12-18/h3-17,28H,2H2,1H3
InChIKeyPJKPENUAVCBHSN-UHFFFAOYSA-N
XLogP6.23
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate 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

ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
ethyl 5-(2-bromobenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4997487
methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
CID 1326813
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
CID 171977289
ethyl 5-(3-methoxybenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4677422

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate (CID 1490255) is ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is PJKPENUAVCBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5S/c1-2-32-27(29)24-22-17-23(28-34(30,31)19-13-7-4-8-14-19)20-15-9-10-16-21(20)26(22)33-25(24)18-11-5-3-6-12-18/h3-17,28H,2H2,1H3.
What are the key properties of ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 471.53 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 1490255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).