N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide

C20H13Cl2FN2O5S — CID 2089595

IUPACN-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2FN2O5S/c21-15-9-16(22)19(31(27,28)25-12-3-1-11(23)2-4-12)8-14(15)20(26)24-13-5-6-17-18(7-13)30-10-29-17/h1-9,25H,10H2,(H,24,26)
InChIKeyHABHEMFKKCLBLC-UHFFFAOYSA-N
MW483.30 g/mol
LogP4.91
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide

N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 2089595) has the molecular formula C20H13Cl2FN2O5S and a molecular weight of 483.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID2089595
Molecular FormulaC20H13Cl2FN2O5S
Molecular Weight483.30 g/mol
Exact Mass481.99
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2FN2O5S/c21-15-9-16(22)19(31(27,28)25-12-3-1-11(23)2-4-12)8-14(15)20(26)24-13-5-6-17-18(7-13)30-10-29-17/h1-9,25H,10H2,(H,24,26)
InChIKeyHABHEMFKKCLBLC-UHFFFAOYSA-N
XLogP4.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)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

2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2422766
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92679696
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3920897
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide (CID 2089595) is N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is HABHEMFKKCLBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O5S/c21-15-9-16(22)19(31(27,28)25-12-3-1-11(23)2-4-12)8-14(15)20(26)24-13-5-6-17-18(7-13)30-10-29-17/h1-9,25H,10H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 483.30 g/mol, XLogP of 4.91, 5 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-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2089595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).