1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine

C10H11FN2O4S — CID 47261344

IUPAC1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H11FN2O4S/c11-8-4-3-5-9(10(8)13(14)15)18(16,17)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyXBYPLJAIOGAFSS-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine

1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine (PubChem CID 47261344) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine
PubChem CID47261344
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H11FN2O4S/c11-8-4-3-5-9(10(8)13(14)15)18(16,17)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyXBYPLJAIOGAFSS-UHFFFAOYSA-N
XLogP1.52
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
CID 47331572
2-nitro-3-pyrrolidin-1-ylsulfonylaniline
CID 112675256
1-(3-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 115993800
4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
CID 47261545
1-(3-fluoro-2-nitrophenyl)sulfonyl-2-methylpyrrolidine
CID 112695664
(2S,6R)-1-(3-fluoro-2-nitrophenyl)sulfonyl-2,6-dimethylpiperidine
CID 104967306
1-(3-fluoro-2-nitrophenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 115993146
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 115752373
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583021
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
(3aS,6aS)-1-(3-fluoro-2-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 103956192
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746594

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine (CID 47261344) is 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine?
The InChIKey is XBYPLJAIOGAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-8-4-3-5-9(10(8)13(14)15)18(16,17)12-6-1-2-7-12/h3-5H,1-2,6-7H2.
What are the key properties of 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine?
1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine has a molecular weight of 274.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 47261344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).