N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H20N2O6S — CID 2946020

IUPACN-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H20N2O6S/c22-19(21-14-5-8-17-18(10-14)27-12-26-17)13-3-6-16(7-4-13)28(23,24)20-11-15-2-1-9-25-15/h3-8,10,15,20H,1-2,9,11-12H2,(H,21,22)
InChIKeyAHMGXZCURLDUFG-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.12
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 2946020) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID2946020
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H20N2O6S/c22-19(21-14-5-8-17-18(10-14)27-12-26-17)13-3-6-16(7-4-13)28(23,24)20-11-15-2-1-9-25-15/h3-8,10,15,20H,1-2,9,11-12H2,(H,21,22)
InChIKeyAHMGXZCURLDUFG-UHFFFAOYSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262699
4-acetyl-N-(1,3-benzodioxol-5-yl)benzenesulfonamide
CID 2486492
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-isobutylsulfamoyl-benzamide
CID 654454
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-(piperidine-1-sulfonyl)-benzamide
CID 655655
N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 881514
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 986751
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1007014
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1077681

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 2946020) is N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AHMGXZCURLDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(21-14-5-8-17-18(10-14)27-12-26-17)13-3-6-16(7-4-13)28(23,24)20-11-15-2-1-9-25-15/h3-8,10,15,20H,1-2,9,11-12H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 404.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 2946020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).