4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide

C21H24ClN3O4S — CID 110656831

IUPAC4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-3-24(4-2)30(28,29)18-10-8-15(9-11-18)21(27)25-13-12-23-20(26)19(25)16-6-5-7-17(22)14-16/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyLGCPOJQKOFFETD-UHFFFAOYSA-N
MW449.96 g/mol
LogP2.68
Rot. Bonds6

About 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide

4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide (PubChem CID 110656831) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
PubChem CID110656831
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-3-24(4-2)30(28,29)18-10-8-15(9-11-18)21(27)25-13-12-23-20(26)19(25)16-6-5-7-17(22)14-16/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyLGCPOJQKOFFETD-UHFFFAOYSA-N
XLogP2.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 110657549
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide (CID 110656831) is 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is LGCPOJQKOFFETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-3-24(4-2)30(28,29)18-10-8-15(9-11-18)21(27)25-13-12-23-20(26)19(25)16-6-5-7-17(22)14-16/h5-11,14,19H,3-4,12-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 449.96 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 110656831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).