propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

C19H19NO5S — CID 25043109

IUPACpropyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H19NO5S/c1-3-11-24-19(21)18-13(2)25-17-10-9-14(12-16(17)18)20-26(22,23)15-7-5-4-6-8-15/h4-10,12,20H,3,11H2,1-2H3
InChIKeyCXWVFTCAKMZGLO-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.11
Rot. Bonds6

About propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 25043109) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID25043109
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Namepropyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H19NO5S/c1-3-11-24-19(21)18-13(2)25-17-10-9-14(12-16(17)18)20-26(22,23)15-7-5-4-6-8-15/h4-10,12,20H,3,11H2,1-2H3
InChIKeyCXWVFTCAKMZGLO-UHFFFAOYSA-N
XLogP4.11
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
butyl 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 5061732
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2867458
ethyl 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 15993511
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2887999
3-[(3-ethoxycarbonyl-2-propyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid
CID 25041888
benzyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2946060
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
2-methyl-5-(propylsulfonylamino)-1-benzofuran-3-carboxylic acid
CID 28916619

Frequently Asked Questions

What is the IUPAC name of propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (CID 25043109) is propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is CCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is CXWVFTCAKMZGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-3-11-24-19(21)18-13(2)25-17-10-9-14(12-16(17)18)20-26(22,23)15-7-5-4-6-8-15/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 25043109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).