N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide

C13H19N3O2S — CID 64554918

IUPACN-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,13-5-6-13)15-11-1-3-12(4-2-11)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2
InChIKeyDQSSVEDFRIVLRV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.00
Rot. Bonds4

About N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide

N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide (PubChem CID 64554918) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
PubChem CID64554918
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-19(18,13-5-6-13)15-11-1-3-12(4-2-11)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2
InChIKeyDQSSVEDFRIVLRV-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide (CID 64554918) is N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide is O=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CC1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide?
The InChIKey is DQSSVEDFRIVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-19(18,13-5-6-13)15-11-1-3-12(4-2-11)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2.
What are the key properties of N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide?
N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 64554918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).