4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H20N4O4S — CID 109060439

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C18H20N4O4S/c23-14-21-9-11-22(12-10-21)18(24)16-1-3-17(4-2-16)27(25,26)20-13-15-5-7-19-8-6-15/h1-8,14,20H,9-13H2
InChIKeyABLWTRWFSIPBMC-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.47
Rot. Bonds6

About 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 109060439) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID109060439
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C18H20N4O4S/c23-14-21-9-11-22(12-10-21)18(24)16-1-3-17(4-2-16)27(25,26)20-13-15-5-7-19-8-6-15/h1-8,14,20H,9-13H2
InChIKeyABLWTRWFSIPBMC-UHFFFAOYSA-N
XLogP0.47
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 97150016
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
4-[2-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302844
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
N-(2-cyanophenyl)-4-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109060459
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 109060439) is 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CC1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ABLWTRWFSIPBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-14-21-9-11-22(12-10-21)18(24)16-1-3-17(4-2-16)27(25,26)20-13-15-5-7-19-8-6-15/h1-8,14,20H,9-13H2.
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 109060439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).