ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate

C19H18ClNO5S — CID 14476291

IUPACethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C19H18ClNO5S/c1-2-25-19(22)18-12-14-11-13(3-8-17(14)26-18)9-10-21-27(23,24)16-6-4-15(20)5-7-16/h3-8,11-12,21H,2,9-10H2,1H3
InChIKeyAFWMWGAKQHZBIT-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.78
Rot. Bonds7

About ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate

ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate (PubChem CID 14476291) has the molecular formula C19H18ClNO5S and a molecular weight of 407.88 g/mol. Its IUPAC name is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
PubChem CID14476291
Molecular FormulaC19H18ClNO5S
Molecular Weight407.88 g/mol
Exact Mass407.06
IUPAC Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C19H18ClNO5S/c1-2-25-19(22)18-12-14-11-13(3-8-17(14)26-18)9-10-21-27(23,24)16-6-4-15(20)5-7-16/h3-8,11-12,21H,2,9-10H2,1H3
InChIKeyAFWMWGAKQHZBIT-UHFFFAOYSA-N
XLogP3.78
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
CID 14476307
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14476317
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
ethyl 6-(chlorosulfonylmethyl)-1-benzofuran-2-carboxylate
CID 169244684
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643307
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 9270566
ethyl 5-[2-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244621
ethyl 3-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]propanoate
CID 18921500
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide
CID 67930404

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate (CID 14476291) is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2o1.
What is the InChIKey of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate?
The InChIKey is AFWMWGAKQHZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5S/c1-2-25-19(22)18-12-14-11-13(3-8-17(14)26-18)9-10-21-27(23,24)16-6-4-15(20)5-7-16/h3-8,11-12,21H,2,9-10H2,1H3.
What are the key properties of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate?
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate has a molecular weight of 407.88 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 14476291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).