propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

C19H18FNO5S — CID 25039522

IUPACpropyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C19H18FNO5S/c1-3-10-25-19(22)18-12(2)26-17-9-6-14(11-16(17)18)21-27(23,24)15-7-4-13(20)5-8-15/h4-9,11,21H,3,10H2,1-2H3
InChIKeyKFTFUMSVCBHYQL-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.25
Rot. Bonds6

About propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 25039522) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID25039522
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Namepropyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C19H18FNO5S/c1-3-10-25-19(22)18-12(2)26-17-9-6-14(11-16(17)18)21-27(23,24)15-7-4-13(20)5-8-15/h4-9,11,21H,3,10H2,1-2H3
InChIKeyKFTFUMSVCBHYQL-UHFFFAOYSA-N
XLogP4.25
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (CID 25039522) is propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is CCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12.
What is the InChIKey of propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is KFTFUMSVCBHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c1-3-10-25-19(22)18-12(2)26-17-9-6-14(11-16(17)18)21-27(23,24)15-7-4-13(20)5-8-15/h4-9,11,21H,3,10H2,1-2H3.
What are the key properties of propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 25039522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).