ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate

C19H20ClNO5S — CID 14476317

IUPACethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
InChIInChI=1S/C19H20ClNO5S/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/h3-8,11,18,21H,2,9-10,12H2,1H3
InChIKeyMNFRAULTJSBQIC-UHFFFAOYSA-N
MW409.89 g/mol
LogP2.73
Rot. Bonds7

About ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 14476317) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID14476317
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
InChIInChI=1S/C19H20ClNO5S/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/h3-8,11,18,21H,2,9-10,12H2,1H3
InChIKeyMNFRAULTJSBQIC-UHFFFAOYSA-N
XLogP2.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 98113436
ethyl 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14796812
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
ethyl 3-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]propanoate
CID 18921500
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
CID 14476307
propyl 5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 65398834
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
5-[C-[[(4-chlorophenyl)sulfonylamino]methyl]-N-hydroxycarbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 72739414
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
(4-carbamoylphenyl)methyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 47014381

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate (CID 14476317) is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-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]-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is MNFRAULTJSBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/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/h3-8,11,18,21H,2,9-10,12H2,1H3.
What are the key properties of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 409.89 g/mol, XLogP of 2.73, 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]-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 14476317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).