4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C19H22ClN3O5S — CID 55609831

IUPAC4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-12(2)18(24)21-14-6-5-7-15(11-14)22-19(25)13-8-9-16(20)17(10-13)29(26,27)23(3)28-4/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyPRTQJQXZMSNVFQ-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.37
Rot. Bonds7

About 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 55609831) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID55609831
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-12(2)18(24)21-14-6-5-7-15(11-14)22-19(25)13-8-9-16(20)17(10-13)29(26,27)23(3)28-4/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyPRTQJQXZMSNVFQ-UHFFFAOYSA-N
XLogP3.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]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

4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-chloro-N-[2-(2-chlorophenoxy)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 37348272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 55609831) is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is PRTQJQXZMSNVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-12(2)18(24)21-14-6-5-7-15(11-14)22-19(25)13-8-9-16(20)17(10-13)29(26,27)23(3)28-4/h5-12H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 439.92 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55609831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).