N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline

C20H26N2O4S — CID 90889753

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline
SMILESCCCN(CCC)S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-3-12-21(13-4-2)27(23,24)22(18-8-6-5-7-9-18)15-17-10-11-19-20(14-17)26-16-25-19/h5-11,14H,3-4,12-13,15-16H2,1-2H3
InChIKeyWVWSQPUMKFIGOL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.79
Rot. Bonds9

About N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline

N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline (PubChem CID 90889753) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline
PubChem CID90889753
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline
SMILESCCCN(CCC)S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-3-12-21(13-4-2)27(23,24)22(18-8-6-5-7-9-18)15-17-10-11-19-20(14-17)26-16-25-19/h5-11,14H,3-4,12-13,15-16H2,1-2H3
InChIKeyWVWSQPUMKFIGOL-UHFFFAOYSA-N
XLogP3.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline (CID 90889753) is N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline is CCCN(CCC)S(=O)(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline?
The InChIKey is WVWSQPUMKFIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-12-21(13-4-2)27(23,24)22(18-8-6-5-7-9-18)15-17-10-11-19-20(14-17)26-16-25-19/h5-11,14H,3-4,12-13,15-16H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline?
N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline has a molecular weight of 390.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(dipropylsulfamoyl)aniline is sourced from PubChem (CID 90889753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).