4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide

C25H26ClN3O4S — CID 126413232

IUPAC4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C25H26ClN3O4S/c1-4-11-27-25(31)20-7-5-6-8-22(20)28-24(30)18-9-10-21(26)23(15-18)34(32,33)29-19-13-16(2)12-17(3)14-19/h5-10,12-15,29H,4,11H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyDWBQNZOMWVQOHZ-UHFFFAOYSA-N
MW500.02 g/mol
LogP5.15
Rot. Bonds8

About 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide

4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 126413232) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID126413232
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C25H26ClN3O4S/c1-4-11-27-25(31)20-7-5-6-8-22(20)28-24(30)18-9-10-21(26)23(15-18)34(32,33)29-19-13-16(2)12-17(3)14-19/h5-10,12-15,29H,4,11H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyDWBQNZOMWVQOHZ-UHFFFAOYSA-N
XLogP5.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.02
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 126415159
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 56516786
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 3587914
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 126413232) is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=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-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is DWBQNZOMWVQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-4-11-27-25(31)20-7-5-6-8-22(20)28-24(30)18-9-10-21(26)23(15-18)34(32,33)29-19-13-16(2)12-17(3)14-19/h5-10,12-15,29H,4,11H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide?
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 500.02 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 126413232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).