4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide

C9H13ClN4O4S2 — CID 61045619

IUPAC4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C9H13ClN4O4S2/c10-9-7-8(1-2-12-9)19(15,16)13-3-5-14(6-4-13)20(11,17)18/h1-2,7H,3-6H2,(H2,11,17,18)
InChIKeyCZPQYTPWGWALRC-UHFFFAOYSA-N
MW340.81 g/mol
LogP-0.76
Rot. Bonds3

About 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide

4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide (PubChem CID 61045619) has the molecular formula C9H13ClN4O4S2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
PubChem CID61045619
Molecular FormulaC9H13ClN4O4S2
Molecular Weight340.81 g/mol
Exact Mass340.01
IUPAC Name4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C9H13ClN4O4S2/c10-9-7-8(1-2-12-9)19(15,16)13-3-5-14(6-4-13)20(11,17)18/h1-2,7H,3-6H2,(H2,11,17,18)
InChIKeyCZPQYTPWGWALRC-UHFFFAOYSA-N
XLogP-0.76
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-pyridinyl)sulfonyl]-4-(2-methylpropyl)piperazine
CID 61045915
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
CID 79183789
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095
3-[(2-chloro-4-pyridinyl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170156
1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61045541
(2-chloro-4-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 32694457
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
(2-chloro-4-pyridinyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 34660750

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide (CID 61045619) is 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
The InChIKey is CZPQYTPWGWALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O4S2/c10-9-7-8(1-2-12-9)19(15,16)13-3-5-14(6-4-13)20(11,17)18/h1-2,7H,3-6H2,(H2,11,17,18).
What are the key properties of 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide?
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide has a molecular weight of 340.81 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61045619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).