1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine

C9H12N4O4S — CID 71635629

IUPAC1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H12N4O4S/c14-13(15)8-2-1-3-11-9(8)18(16,17)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKeyCDOCBXPHGKQCNF-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.42
Rot. Bonds3

About 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine

1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine (PubChem CID 71635629) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
PubChem CID71635629
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H12N4O4S/c14-13(15)8-2-1-3-11-9(8)18(16,17)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKeyCDOCBXPHGKQCNF-UHFFFAOYSA-N
XLogP-0.42
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71635607
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 97165430
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609
1-(3-bromo-4-nitrophenyl)sulfonylpiperazine
CID 119961499
1-pyridin-2-ylsulfonyl-1,4-diazepane
CID 86784566
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26437253

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine?
The IUPAC name of 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine (CID 71635629) is 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine.
What is the SMILES notation for 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine?
The canonical SMILES for 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine is O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine?
The InChIKey is CDOCBXPHGKQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c14-13(15)8-2-1-3-11-9(8)18(16,17)12-6-4-10-5-7-12/h1-3,10H,4-7H2.
What are the key properties of 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine?
1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine has a molecular weight of 272.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine is sourced from PubChem (CID 71635629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).