N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide

C15H21N3O4S — CID 21367512

IUPACN-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-3-23(21,22)16(2)14-6-4-13(5-7-14)15(20)18-10-8-17(12-19)9-11-18/h4-7,12H,3,8-11H2,1-2H3
InChIKeyCKLMDPXXRSOGTG-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.39
Rot. Bonds5

About N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide

N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide (PubChem CID 21367512) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
PubChem CID21367512
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-3-23(21,22)16(2)14-6-4-13(5-7-14)15(20)18-10-8-17(12-19)9-11-18/h4-7,12H,3,8-11H2,1-2H3
InChIKeyCKLMDPXXRSOGTG-UHFFFAOYSA-N
XLogP0.39
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-N-methylethanesulfonamide
CID 100785453
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide (CID 21367512) is N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide?
The InChIKey is CKLMDPXXRSOGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-23(21,22)16(2)14-6-4-13(5-7-14)15(20)18-10-8-17(12-19)9-11-18/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide?
N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 21367512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).