1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine

C19H24N4O4S2 — CID 4834733

IUPAC1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C19H24N4O4S2/c24-28(25,17-6-2-1-3-7-17)23-14-12-21(13-15-23)19-9-8-18(16-20-19)29(26,27)22-10-4-5-11-22/h1-3,6-9,16H,4-5,10-15H2
InChIKeyDKPCUFQHMSUOML-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.38
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine

1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine (PubChem CID 4834733) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
PubChem CID4834733
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C19H24N4O4S2/c24-28(25,17-6-2-1-3-7-17)23-14-12-21(13-15-23)19-9-8-18(16-20-19)29(26,27)22-10-4-5-11-22/h1-3,6-9,16H,4-5,10-15H2
InChIKeyDKPCUFQHMSUOML-UHFFFAOYSA-N
XLogP1.38
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine (CID 4834733) is 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine is O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
The InChIKey is DKPCUFQHMSUOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c24-28(25,17-6-2-1-3-7-17)23-14-12-21(13-15-23)19-9-8-18(16-20-19)29(26,27)22-10-4-5-11-22/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine?
1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine has a molecular weight of 436.56 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine is sourced from PubChem (CID 4834733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).