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

C15H23N3O2S — CID 105360645

IUPACN-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,15-3-1-2-4-15)17-13-5-7-14(8-6-13)18-11-9-16-10-12-18/h5-8,15-17H,1-4,9-12H2
InChIKeyBBTBNUDOGPFBAL-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.78
Rot. Bonds4

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

N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide (PubChem CID 105360645) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
PubChem CID105360645
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,15-3-1-2-4-15)17-13-5-7-14(8-6-13)18-11-9-16-10-12-18/h5-8,15-17H,1-4,9-12H2
InChIKeyBBTBNUDOGPFBAL-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.78
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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Related Compounds

4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
N-Phenyltaurine
CID 446854
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
2-(4-Aminophenyl)-1lambda6,2-thiazolidine-1,1-dione
CID 11816685
3-Anilinopropanesulphonic acid
CID 3018384
1-(Ethylsulfonyl)-4-phenylpiperazine
CID 230726
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CID 2947309
N-[4-[[(4-Phenylpiperazin-2-yl)methyl]amino]phenyl]methanesulfonamide
CID 14998852
N-{2-[(4-nitrophenyl)amino]ethyl}ethanesulfonamide
CID 2943516
Methanesulfonamide, N-[4-(ethylamino)phenyl]-
CID 20277952

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide?
The IUPAC name of N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide (CID 105360645) is N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide is O=S(=O)(Nc1ccc(N2CCNCC2)cc1)C1CCCC1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide?
The InChIKey is BBTBNUDOGPFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,15-3-1-2-4-15)17-13-5-7-14(8-6-13)18-11-9-16-10-12-18/h5-8,15-17H,1-4,9-12H2.
What are the key properties of N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide?
N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.78, 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)cyclopentanesulfonamide is sourced from PubChem (CID 105360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).