1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine

C15H16N4O4S — CID 701155

IUPAC1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H16N4O4S/c20-19(21)13-5-1-2-6-14(13)24(22,23)18-11-9-17(10-12-18)15-7-3-4-8-16-15/h1-8H,9-12H2
InChIKeyPJFNKTAOOHZYRB-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 701155) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID701155
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H16N4O4S/c20-19(21)13-5-1-2-6-14(13)24(22,23)18-11-9-17(10-12-18)15-7-3-4-8-16-15/h1-8H,9-12H2
InChIKeyPJFNKTAOOHZYRB-UHFFFAOYSA-N
XLogP1.50
TPSA96.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
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

2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 60567658
1-(2-nitrophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 26532044
2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9195567
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 35885094
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
(2-chloro-3-pyridinyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496520
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
3,6,9,12-tetrakis[(2-nitrophenyl)sulfonyl]-3,6,9,12-tetrazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 101172308

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 701155) is 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is PJFNKTAOOHZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c20-19(21)13-5-1-2-6-14(13)24(22,23)18-11-9-17(10-12-18)15-7-3-4-8-16-15/h1-8H,9-12H2.
What are the key properties of 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 348.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 701155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).