4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H29ClN4O4S — CID 55541273

IUPAC4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29)
InChIKeyXXKUWMVIVRUZEO-UHFFFAOYSA-N
MW493.03 g/mol
LogP2.80
Rot. Bonds7

About 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55541273) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55541273
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29)
InChIKeyXXKUWMVIVRUZEO-UHFFFAOYSA-N
XLogP2.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)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 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55541273) is 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XXKUWMVIVRUZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 493.03 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).