4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C24H21ClN4O5S3 — CID 126416977

About 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 126416977) has the molecular formula C24H21ClN4O5S3 and a molecular weight of 577.11 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
• PubChem CID: 126416977
• Molecular Formula: C24H21ClN4O5S3
• Molecular Weight: 577.11 g/mol
• Exact Mass: 576.04
• IUPAC Name: 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
• SMILES: Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2Cl)c1C
• InChI: InChI=1S/C24H21ClN4O5S3/c1-15-4-3-5-21(16(15)2)28-37(33,34)22-14-17(6-11-20(22)25)23(30)27-18-7-9-19(10-8-18)36(31,32)29-24-26-12-13-35-24/h3-14,28H,1-2H3,(H,26,29)(H,27,30)
• InChIKey: YUUUGSKWXRZDLJ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 134.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.11
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?

The IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 126416977) is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

What is the SMILES notation for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?

The canonical SMILES for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2Cl)c1C.

What is the InChIKey of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?

The InChIKey is YUUUGSKWXRZDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O5S3/c1-15-4-3-5-21(16(15)2)28-37(33,34)22-14-17(6-11-20(22)25)23(30)27-18-7-9-19(10-8-18)36(31,32)29-24-26-12-13-35-24/h3-14,28H,1-2H3,(H,26,29)(H,27,30).

What are the key properties of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 577.11 g/mol, XLogP of 5.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 126416977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).