4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide

C15H23N3O4S2 — CID 24793469

IUPAC4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C15H23N3O4S2/c16-23(19,20)14-5-7-15(8-6-14)24(21,22)18-11-9-17(10-12-18)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H2,16,19,20)
InChIKeyDXOQUZBUZMDMHX-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.58
Rot. Bonds4

About 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide

4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 24793469) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide
PubChem CID24793469
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C15H23N3O4S2/c16-23(19,20)14-5-7-15(8-6-14)24(21,22)18-11-9-17(10-12-18)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H2,16,19,20)
InChIKeyDXOQUZBUZMDMHX-UHFFFAOYSA-N
XLogP0.58
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
4-Iodo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10023529
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
1-Cyclooctyl-4-(phenylsulfonyl)piperazine
CID 777562
N-Cyclopropyl-4-(4-ethyl-piperazine-1-sulfonyl)-benzenesulfonamide
CID 1429249
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671
4-{[4-(2-Cyanoethyl)piperazin-1-YL]sulfonyl}-N-cyclohexyl-N-ethylbenzene-1-sulfonamide
CID 5307625
N-Methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-benzenesulfonamide
CID 14771468
N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604944

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide (CID 24793469) is 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is DXOQUZBUZMDMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c16-23(19,20)14-5-7-15(8-6-14)24(21,22)18-11-9-17(10-12-18)13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H2,16,19,20).
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide?
4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 24793469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).