N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide

C19H20Cl3N3O3S — CID 27831831

IUPACN-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C19H20Cl3N3O3S/c1-24-6-8-25(9-7-24)29(27,28)14-3-5-16(21)18(12-14)23-19(26)11-13-2-4-15(20)17(22)10-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,26)
InChIKeyIRAFXRMEFVKFHN-UHFFFAOYSA-N
MW476.81 g/mol
LogP3.76
Rot. Bonds5

About N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide

N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 27831831) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID27831831
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC NameN-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C19H20Cl3N3O3S/c1-24-6-8-25(9-7-24)29(27,28)14-3-5-16(21)18(12-14)23-19(26)11-13-2-4-15(20)17(22)10-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,26)
InChIKeyIRAFXRMEFVKFHN-UHFFFAOYSA-N
XLogP3.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide (CID 27831831) is N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide is CN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)CC1.
What is the InChIKey of N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is IRAFXRMEFVKFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c1-24-6-8-25(9-7-24)29(27,28)14-3-5-16(21)18(12-14)23-19(26)11-13-2-4-15(20)17(22)10-13/h2-5,10,12H,6-9,11H2,1H3,(H,23,26).
What are the key properties of N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide?
N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 476.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 27831831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).