1-(4-fluorophenyl)sulfinyl-4-nitrobenzene

C12H8FNO3S — CID 21200948

IUPAC1-(4-fluorophenyl)sulfinyl-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C12H8FNO3S/c13-9-1-5-11(6-2-9)18(17)12-7-3-10(4-8-12)14(15)16/h1-8H
InChIKeyOOZKKMIOJWWCIH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene

1-(4-fluorophenyl)sulfinyl-4-nitrobenzene (PubChem CID 21200948) has the molecular formula C12H8FNO3S and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-4-nitrobenzene
PubChem CID21200948
Molecular FormulaC12H8FNO3S
Molecular Weight265.27 g/mol
Exact Mass265.02
IUPAC Name1-(4-fluorophenyl)sulfinyl-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C12H8FNO3S/c13-9-1-5-11(6-2-9)18(17)12-7-3-10(4-8-12)14(15)16/h1-8H
InChIKeyOOZKKMIOJWWCIH-UHFFFAOYSA-N
XLogP2.90
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
1-nitro-4-[(S)-phenylsulfinyl]benzene
CID 93233774
zinc bis(4-nitrobenzenesulfinate)
CID 6098243
4-[4-(4-nitrophenoxy)phenyl]sulfinylphenol
CID 139719117
1-chloro-4-(4-nitrophenyl)sulfinyl-2-(trifluoromethyl)benzene;ethane
CID 153379650
4-fluoro-2-[(4-nitrophenyl)sulfinylmethyl]aniline
CID 61288843
1-[(S)-ethenylsulfinyl]-4-nitrobenzene
CID 138974020
1,2,3,4,5-pentafluoro-6-[(4-nitrophenyl)sulfinylmethyl]benzene
CID 132605369
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
dimethyl propanedioate;1-fluoro-4-nitrobenzene
CID 174733848
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
CID 59711141
CID 59711141

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene (CID 21200948) is 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene is O=[N+]([O-])c1ccc(S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene?
The InChIKey is OOZKKMIOJWWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-9-1-5-11(6-2-9)18(17)12-7-3-10(4-8-12)14(15)16/h1-8H.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene?
1-(4-fluorophenyl)sulfinyl-4-nitrobenzene has a molecular weight of 265.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-4-nitrobenzene is sourced from PubChem (CID 21200948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).