[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate

C22H17NO5S — CID 7750186

IUPAC[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
SMILESCN(c1ccc(OC(=O)c2cc3ccccc3o2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17NO5S/c1-23(29(25,26)19-8-3-2-4-9-19)17-11-13-18(14-12-17)27-22(24)21-15-16-7-5-6-10-20(16)28-21/h2-15H,1H3
InChIKeyGWHORSNKKBROMF-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.48
Rot. Bonds5

About [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate

[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate (PubChem CID 7750186) has the molecular formula C22H17NO5S and a molecular weight of 407.45 g/mol. Its IUPAC name is [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
PubChem CID7750186
Molecular FormulaC22H17NO5S
Molecular Weight407.45 g/mol
Exact Mass407.08
IUPAC Name[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
SMILESCN(c1ccc(OC(=O)c2cc3ccccc3o2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17NO5S/c1-23(29(25,26)19-8-3-2-4-9-19)17-11-13-18(14-12-17)27-22(24)21-15-16-7-5-6-10-20(16)28-21/h2-15H,1H3
InChIKeyGWHORSNKKBROMF-UHFFFAOYSA-N
XLogP4.48
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-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

(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
[4-[benzenesulfonyl(methyl)amino]phenyl] pyrazine-2-carboxylate
CID 18075166
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 7921384
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 16574816
(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6503673
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328

Frequently Asked Questions

What is the IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate (CID 7750186) is [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate is CN(c1ccc(OC(=O)c2cc3ccccc3o2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The InChIKey is GWHORSNKKBROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5S/c1-23(29(25,26)19-8-3-2-4-9-19)17-11-13-18(14-12-17)27-22(24)21-15-16-7-5-6-10-20(16)28-21/h2-15H,1H3.
What are the key properties of [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate?
[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate has a molecular weight of 407.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).