2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

C19H17Cl2NO6S — CID 2887999

IUPAC2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc12
InChIInChI=1S/C19H17Cl2NO6S/c1-11-18(19(23)27-8-7-26-2)14-10-13(4-6-16(14)28-11)22-29(24,25)17-9-12(20)3-5-15(17)21/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeySRLQFKUIISMELA-UHFFFAOYSA-N
MW458.32 g/mol
LogP4.65
Rot. Bonds7

About 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 2887999) has the molecular formula C19H17Cl2NO6S and a molecular weight of 458.32 g/mol. Its IUPAC name is 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID2887999
Molecular FormulaC19H17Cl2NO6S
Molecular Weight458.32 g/mol
Exact Mass457.02
IUPAC Name2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc12
InChIInChI=1S/C19H17Cl2NO6S/c1-11-18(19(23)27-8-7-26-2)14-10-13(4-6-16(14)28-11)22-29(24,25)17-9-12(20)3-5-15(17)21/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeySRLQFKUIISMELA-UHFFFAOYSA-N
XLogP4.65
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2867458
butyl 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 5061732
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
ethyl 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 15993511
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (CID 2887999) is 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc12.
What is the InChIKey of 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is SRLQFKUIISMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO6S/c1-11-18(19(23)27-8-7-26-2)14-10-13(4-6-16(14)28-11)22-29(24,25)17-9-12(20)3-5-15(17)21/h3-6,9-10,22H,7-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 458.32 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 2887999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).