N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide

C15H19N3O4S — CID 109058274

IUPACN-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H19N3O4S/c19-11-17-7-9-18(10-8-17)23(21,22)14-5-1-12(2-6-14)15(20)16-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,16,20)
InChIKeyPLIFALJVIKXXMI-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.04
Rot. Bonds5

About N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide

N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 109058274) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
PubChem CID109058274
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C15H19N3O4S/c19-11-17-7-9-18(10-8-17)23(21,22)14-5-1-12(2-6-14)15(20)16-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,16,20)
InChIKeyPLIFALJVIKXXMI-UHFFFAOYSA-N
XLogP0.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.04
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

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CID 109059487
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
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N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 3228866
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
CID 19258158
4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 1433317
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide (CID 109058274) is N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide is O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is PLIFALJVIKXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-11-17-7-9-18(10-8-17)23(21,22)14-5-1-12(2-6-14)15(20)16-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,16,20).
What are the key properties of N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide?
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 337.40 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109058274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).