2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

C27H23Cl2N3O5S2 — CID 43881654

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-19-5-13-26(14-6-19)39(36,37)32(24-4-2-3-21(29)17-24)18-27(33)30-22-11-15-25(16-12-22)38(34,35)31-23-9-7-20(28)8-10-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyJADKIMQTHMFKEP-UHFFFAOYSA-N
MW604.54 g/mol
LogP5.94
Rot. Bonds9

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881654) has the molecular formula C27H23Cl2N3O5S2 and a molecular weight of 604.54 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881654
Molecular FormulaC27H23Cl2N3O5S2
Molecular Weight604.54 g/mol
Exact Mass603.05
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-19-5-13-26(14-6-19)39(36,37)32(24-4-2-3-21(29)17-24)18-27(33)30-22-11-15-25(16-12-22)38(34,35)31-23-9-7-20(28)8-10-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyJADKIMQTHMFKEP-UHFFFAOYSA-N
XLogP5.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]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

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43915685
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126412709
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881752
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46763642
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881444
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23767179
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 23792056
N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880459

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (CID 43881654) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is JADKIMQTHMFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O5S2/c1-19-5-13-26(14-6-19)39(36,37)32(24-4-2-3-21(29)17-24)18-27(33)30-22-11-15-25(16-12-22)38(34,35)31-23-9-7-20(28)8-10-23/h2-17,31H,18H2,1H3,(H,30,33).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 604.54 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).