N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C22H19Cl4N3O5S2 — CID 126413055

IUPACN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C22H19Cl4N3O5S2/c1-13-16(23)4-3-5-20(13)28-36(33,34)15-8-6-14(7-9-15)27-22(30)12-29(35(2,31)32)21-11-18(25)17(24)10-19(21)26/h3-11,28H,12H2,1-2H3,(H,27,30)
InChIKeyKUGWUJZSSPLCLJ-UHFFFAOYSA-N
MW611.36 g/mol
LogP5.81
Rot. Bonds8

About N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 126413055) has the molecular formula C22H19Cl4N3O5S2 and a molecular weight of 611.36 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID126413055
Molecular FormulaC22H19Cl4N3O5S2
Molecular Weight611.36 g/mol
Exact Mass608.95
IUPAC NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C22H19Cl4N3O5S2/c1-13-16(23)4-3-5-20(13)28-36(33,34)15-8-6-14(7-9-15)27-22(30)12-29(35(2,31)32)21-11-18(25)17(24)10-19(21)26/h3-11,28H,12H2,1-2H3,(H,27,30)
InChIKeyKUGWUJZSSPLCLJ-UHFFFAOYSA-N
XLogP5.81
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.36
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide 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

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43882420
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880107
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880869
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881393
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880667
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882163
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880562
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881662
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 126413055) is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is KUGWUJZSSPLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl4N3O5S2/c1-13-16(23)4-3-5-20(13)28-36(33,34)15-8-6-14(7-9-15)27-22(30)12-29(35(2,31)32)21-11-18(25)17(24)10-19(21)26/h3-11,28H,12H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 611.36 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126413055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).