N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C21H24Cl2N4O3S — CID 1417002

IUPACN-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-15-3-6-18(7-4-15)31(29,30)27-11-9-26(10-12-27)14-21(28)25-24-16(2)19-8-5-17(22)13-20(19)23/h3-8,13H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyWHSLNJCOKGNBDN-UHFFFAOYSA-N
MW483.42 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 1417002) has the molecular formula C21H24Cl2N4O3S and a molecular weight of 483.42 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID1417002
Molecular FormulaC21H24Cl2N4O3S
Molecular Weight483.42 g/mol
Exact Mass482.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-15-3-6-18(7-4-15)31(29,30)27-11-9-26(10-12-27)14-21(28)25-24-16(2)19-8-5-17(22)13-20(19)23/h3-8,13H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyWHSLNJCOKGNBDN-UHFFFAOYSA-N
XLogP3.15
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(1-naphthalen-1-ylethylideneamino)acetamide
CID 3509582
N-[1-(3-methoxyphenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1388948
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 6865338
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 135526850
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4007814
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8693026
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 1417002) is N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WHSLNJCOKGNBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3S/c1-15-3-6-18(7-4-15)31(29,30)27-11-9-26(10-12-27)14-21(28)25-24-16(2)19-8-5-17(22)13-20(19)23/h3-8,13H,9-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 483.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 1417002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).