N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide

C20H25ClN4O3S — CID 2125110

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-7-4-15(5-8-17)20(26)22-18-14-16(21)6-9-19(18)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26)
InChIKeyXOPQAODAANUBHA-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.59
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2125110) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2125110
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-7-4-15(5-8-17)20(26)22-18-14-16(21)6-9-19(18)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26)
InChIKeyXOPQAODAANUBHA-UHFFFAOYSA-N
XLogP2.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide 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-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide (CID 2125110) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is XOPQAODAANUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-7-4-15(5-8-17)20(26)22-18-14-16(21)6-9-19(18)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 436.97 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2125110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).