3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide

C18H19N3O4S — CID 109064404

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESO=CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C18H19N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h1-8,13-14,19H,9-12H2
InChIKeyLZEBMYANVSSEKE-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.40
Rot. Bonds5

About 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide

3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 109064404) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID109064404
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESO=CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C18H19N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h1-8,13-14,19H,9-12H2
InChIKeyLZEBMYANVSSEKE-UHFFFAOYSA-N
XLogP1.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(2-cyanophenyl)-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064413
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 92683589
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide (CID 109064404) is 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide is O=CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is LZEBMYANVSSEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h1-8,13-14,19H,9-12H2.
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 109064404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).