1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine

C15H14F2N4O4S — CID 8567614

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H14F2N4O4S/c16-11-3-4-14(12(17)10-11)26(24,25)20-8-6-19(7-9-20)15-13(21(22)23)2-1-5-18-15/h1-5,10H,6-9H2
InChIKeyYWODSEQURXKLQP-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.78
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine

1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine (PubChem CID 8567614) has the molecular formula C15H14F2N4O4S and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
PubChem CID8567614
Molecular FormulaC15H14F2N4O4S
Molecular Weight384.36 g/mol
Exact Mass384.07
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H14F2N4O4S/c16-11-3-4-14(12(17)10-11)26(24,25)20-8-6-19(7-9-20)15-13(21(22)23)2-1-5-18-15/h1-5,10H,6-9H2
InChIKeyYWODSEQURXKLQP-UHFFFAOYSA-N
XLogP1.78
TPSA96.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.78
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

1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9195567
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-8-nitroquinoline
CID 133436339
1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 9111606
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
1-(bromomethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 83084840
4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26437253
1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 9111511
1-(chloromethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 63664883
1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 133315780
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine (CID 8567614) is 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is YWODSEQURXKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O4S/c16-11-3-4-14(12(17)10-11)26(24,25)20-8-6-19(7-9-20)15-13(21(22)23)2-1-5-18-15/h1-5,10H,6-9H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine?
1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 384.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 8567614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).