4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde

C16H21N3O4S — CID 109063117

IUPAC4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
SMILESO=CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C16H21N3O4S/c20-13-17-8-10-19(11-9-17)24(22,23)15-5-3-4-14(12-15)16(21)18-6-1-2-7-18/h3-5,12-13H,1-2,6-11H2
InChIKeyLAWPASPVWNRWNY-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.39
Rot. Bonds4

About 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde

4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde (PubChem CID 109063117) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
PubChem CID109063117
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
SMILESO=CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C16H21N3O4S/c20-13-17-8-10-19(11-9-17)24(22,23)15-5-3-4-14(12-15)16(21)18-6-1-2-7-18/h3-5,12-13H,1-2,6-11H2
InChIKeyLAWPASPVWNRWNY-UHFFFAOYSA-N
XLogP0.39
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
4-[3-(4-ethylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109064308
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 3228866
4-(3-propanoylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 39447843
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109064404
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde (CID 109063117) is 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde is O=CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde?
The InChIKey is LAWPASPVWNRWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-13-17-8-10-19(11-9-17)24(22,23)15-5-3-4-14(12-15)16(21)18-6-1-2-7-18/h3-5,12-13H,1-2,6-11H2.
What are the key properties of 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde?
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde has a molecular weight of 351.43 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde is sourced from PubChem (CID 109063117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).