N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C19H20N2O5S — CID 1248997

IUPACN-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H20N2O5S/c1-13-4-5-14(10-18(13)27(23,24)21-8-2-3-9-21)19(22)20-15-6-7-16-17(11-15)26-12-25-16/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyALXPYDHLXBGYHF-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.76
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1248997) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1248997
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H20N2O5S/c1-13-4-5-14(10-18(13)27(23,24)21-8-2-3-9-21)19(22)20-15-6-7-16-17(11-15)26-12-25-16/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyALXPYDHLXBGYHF-UHFFFAOYSA-N
XLogP2.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1248997) is N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ALXPYDHLXBGYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-4-5-14(10-18(13)27(23,24)21-8-2-3-9-21)19(22)20-15-6-7-16-17(11-15)26-12-25-16/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1248997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).