N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide

C20H25ClN4O3S — CID 3954803

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)19-14-16(8-9-18(19)21)22-20(26)15-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNOSADEAMGGURNG-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.35
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 3954803) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID3954803
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)19-14-16(8-9-18(19)21)22-20(26)15-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNOSADEAMGGURNG-UHFFFAOYSA-N
XLogP2.35
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 3954803) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is NOSADEAMGGURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)19-14-16(8-9-18(19)21)22-20(26)15-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 436.97 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3954803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).