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

C20H24Cl2N4O5S2 — CID 5243998

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2N4O5S2/c1-24(2)33(30,31)19-13-16(5-8-18(19)22)23-20(27)14-25-9-11-26(12-10-25)32(28,29)17-6-3-15(21)4-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyRVAVFWVHDQBQPK-UHFFFAOYSA-N
MW535.48 g/mol
LogP2.19
Rot. Bonds7

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

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 5243998) has the molecular formula C20H24Cl2N4O5S2 and a molecular weight of 535.48 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID5243998
Molecular FormulaC20H24Cl2N4O5S2
Molecular Weight535.48 g/mol
Exact Mass534.06
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H24Cl2N4O5S2/c1-24(2)33(30,31)19-13-16(5-8-18(19)22)23-20(27)14-25-9-11-26(12-10-25)32(28,29)17-6-3-15(21)4-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyRVAVFWVHDQBQPK-UHFFFAOYSA-N
XLogP2.19
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 5152111
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3239778
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 5243998) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is RVAVFWVHDQBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O5S2/c1-24(2)33(30,31)19-13-16(5-8-18(19)22)23-20(27)14-25-9-11-26(12-10-25)32(28,29)17-6-3-15(21)4-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 535.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 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-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 5243998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).