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

C20H25ClN4O4S — CID 4280225

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H25ClN4O4S/c1-23(2)30(28,29)19-13-15(3-8-18(19)21)22-20(27)14-24-9-11-25(12-10-24)16-4-6-17(26)7-5-16/h3-8,13,26H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyLTVFSNURRZIJGL-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.06
Rot. Bonds6

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

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 4280225) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID4280225
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H25ClN4O4S/c1-23(2)30(28,29)19-13-15(3-8-18(19)21)22-20(27)14-24-9-11-25(12-10-24)16-4-6-17(26)7-5-16/h3-8,13,26H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyLTVFSNURRZIJGL-UHFFFAOYSA-N
XLogP2.06
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 4280225) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is LTVFSNURRZIJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-23(2)30(28,29)19-13-15(3-8-18(19)21)22-20(27)14-24-9-11-25(12-10-24)16-4-6-17(26)7-5-16/h3-8,13,26H,9-12,14H2,1-2H3,(H,22,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 452.96 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 4280225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).