N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H24N2O5S2 — CID 55460511

IUPACN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H24N2O5S2/c1-14(2)21-27(22,23)13-17-6-4-3-5-16(17)12-20-28(24,25)18-7-8-19-15(11-18)9-10-26-19/h3-8,11,14,20-21H,9-10,12-13H2,1-2H3
InChIKeyJKDKDIYZSOHBOZ-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.93
Rot. Bonds8

About N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 55460511) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID55460511
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H24N2O5S2/c1-14(2)21-27(22,23)13-17-6-4-3-5-16(17)12-20-28(24,25)18-7-8-19-15(11-18)9-10-26-19/h3-8,11,14,20-21H,9-10,12-13H2,1-2H3
InChIKeyJKDKDIYZSOHBOZ-UHFFFAOYSA-N
XLogP1.93
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16575083
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9302037
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 55460511) is N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is JKDKDIYZSOHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-14(2)21-27(22,23)13-17-6-4-3-5-16(17)12-20-28(24,25)18-7-8-19-15(11-18)9-10-26-19/h3-8,11,14,20-21H,9-10,12-13H2,1-2H3.
What are the key properties of N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 424.54 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 55460511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).