4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

C20H25ClN2O3S — CID 4675305

IUPAC4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-5-6-15(4)22-20(24)16-7-8-18(21)19(12-16)27(25,26)23-17-10-13(2)9-14(3)11-17/h7-12,15,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyONIMMOAWDSDQHF-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.68
Rot. Bonds7

About 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (PubChem CID 4675305) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
PubChem CID4675305
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-5-6-15(4)22-20(24)16-7-8-18(21)19(12-16)27(25,26)23-17-10-13(2)9-14(3)11-17/h7-12,15,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyONIMMOAWDSDQHF-UHFFFAOYSA-N
XLogP4.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide 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-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 126413232
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (CID 4675305) is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The InChIKey is ONIMMOAWDSDQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-6-15(4)22-20(24)16-7-8-18(21)19(12-16)27(25,26)23-17-10-13(2)9-14(3)11-17/h7-12,15,23H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide has a molecular weight of 408.95 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 4675305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).