3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

C22H25ClN4O5S — CID 55596967

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)cc1Cl
InChIInChI=1S/C22H25ClN4O5S/c1-15-6-7-16(22(28)24-8-4-10-27-11-5-9-25-27)12-21(15)33(29,30)26-18-13-17(23)19(31-2)14-20(18)32-3/h5-7,9,11-14,26H,4,8,10H2,1-3H3,(H,24,28)
InChIKeyFBSJATLPGXVBAD-UHFFFAOYSA-N
MW492.99 g/mol
LogP3.48
Rot. Bonds10

About 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 55596967) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID55596967
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)cc1Cl
InChIInChI=1S/C22H25ClN4O5S/c1-15-6-7-16(22(28)24-8-4-10-27-11-5-9-25-27)12-21(15)33(29,30)26-18-13-17(23)19(31-2)14-20(18)32-3/h5-7,9,11-14,26H,4,8,10H2,1-3H3,(H,24,28)
InChIKeyFBSJATLPGXVBAD-UHFFFAOYSA-N
XLogP3.48
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)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-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393533
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25046576
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide (CID 55596967) is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is FBSJATLPGXVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-15-6-7-16(22(28)24-8-4-10-27-11-5-9-25-27)12-21(15)33(29,30)26-18-13-17(23)19(31-2)14-20(18)32-3/h5-7,9,11-14,26H,4,8,10H2,1-3H3,(H,24,28).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 492.99 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 55596967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).