N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide

C21H16Cl2N2O5S — CID 26500687

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O5S/c22-15-3-1-2-4-17(15)25-31(27,28)20-10-14(6-7-16(20)23)21(26)24-11-13-5-8-18-19(9-13)30-12-29-18/h1-10,25H,11-12H2,(H,24,26)
InChIKeyWVDHWFURCLXHEO-UHFFFAOYSA-N
MW479.34 g/mol
LogP4.45
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide (PubChem CID 26500687) has the molecular formula C21H16Cl2N2O5S and a molecular weight of 479.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide
PubChem CID26500687
Molecular FormulaC21H16Cl2N2O5S
Molecular Weight479.34 g/mol
Exact Mass478.02
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O5S/c22-15-3-1-2-4-17(15)25-31(27,28)20-10-14(6-7-16(20)23)21(26)24-11-13-5-8-18-19(9-13)30-12-29-18/h1-10,25H,11-12H2,(H,24,26)
InChIKeyWVDHWFURCLXHEO-UHFFFAOYSA-N
XLogP4.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
CID 9314668
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2704676
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156766
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170790
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide (CID 26500687) is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is WVDHWFURCLXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O5S/c22-15-3-1-2-4-17(15)25-31(27,28)20-10-14(6-7-16(20)23)21(26)24-11-13-5-8-18-19(9-13)30-12-29-18/h1-10,25H,11-12H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 479.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26500687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).