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

C25H26ClN3O4S — CID 126415438

IUPAC4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2Cl)c1
InChIInChI=1S/C25H26ClN3O4S/c1-15(2)27-25(31)19-7-5-6-8-21(19)28-24(30)18-11-12-20(26)23(14-18)34(32,33)29-22-13-16(3)9-10-17(22)4/h5-15,29H,1-4H3,(H,27,31)(H,28,30)
InChIKeyULUZRZJUBGJORI-UHFFFAOYSA-N
MW500.02 g/mol
LogP5.15
Rot. Bonds7

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

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 126415438) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID126415438
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2Cl)c1
InChIInChI=1S/C25H26ClN3O4S/c1-15(2)27-25(31)19-7-5-6-8-21(19)28-24(30)18-11-12-20(26)23(14-18)34(32,33)29-22-13-16(3)9-10-17(22)4/h5-15,29H,1-4H3,(H,27,31)(H,28,30)
InChIKeyULUZRZJUBGJORI-UHFFFAOYSA-N
XLogP5.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 2237130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 126415438) is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is ULUZRZJUBGJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-15(2)27-25(31)19-7-5-6-8-21(19)28-24(30)18-11-12-20(26)23(14-18)34(32,33)29-22-13-16(3)9-10-17(22)4/h5-15,29H,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 500.02 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 126415438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).