4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine

C10H11FN2O4S2 — CID 47331572

IUPAC4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H11FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-4-6-18-7-5-12/h1-3H,4-7H2
InChIKeyTVNAVAGBMUJOIK-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.47
Rot. Bonds3

About 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine

4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine (PubChem CID 47331572) has the molecular formula C10H11FN2O4S2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
PubChem CID47331572
Molecular FormulaC10H11FN2O4S2
Molecular Weight306.34 g/mol
Exact Mass306.01
IUPAC Name4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H11FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-4-6-18-7-5-12/h1-3H,4-7H2
InChIKeyTVNAVAGBMUJOIK-UHFFFAOYSA-N
XLogP1.47
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine
CID 47261344
4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
CID 47261545
1-(3-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 115993800
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
2-nitro-3-pyrrolidin-1-ylsulfonylaniline
CID 112675256
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583021
1-(3-fluoro-2-nitrophenyl)sulfonyl-2-methylpyrrolidine
CID 112695664
ethyl (3S)-4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine-3-carboxylate
CID 52509437
(3aS,6aS)-1-(3-fluoro-2-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 103956192
(2S,6R)-1-(3-fluoro-2-nitrophenyl)sulfonyl-2,6-dimethylpiperidine
CID 104967306
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine (CID 47331572) is 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine?
The InChIKey is TVNAVAGBMUJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S2/c11-8-2-1-3-9(10(8)13(14)15)19(16,17)12-4-6-18-7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine?
4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine has a molecular weight of 306.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine is sourced from PubChem (CID 47331572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).