1-fluoro-4-(sulfinylamino)benzene

C6H4FNOS — CID 12595704

IUPAC1-fluoro-4-(sulfinylamino)benzene
SMILESO=S=Nc1ccc(F)cc1
InChIInChI=1S/C6H4FNOS/c7-5-1-3-6(4-2-5)8-10-9/h1-4H
InChIKeyRUFSBUHKAUZDKK-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.85
Rot. Bonds1

About 1-fluoro-4-(sulfinylamino)benzene

1-fluoro-4-(sulfinylamino)benzene (PubChem CID 12595704) has the molecular formula C6H4FNOS and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-fluoro-4-(sulfinylamino)benzene.

Molecular Properties

Compound Name1-fluoro-4-(sulfinylamino)benzene
PubChem CID12595704
Molecular FormulaC6H4FNOS
Molecular Weight157.17 g/mol
Exact Mass157.00
IUPAC Name1-fluoro-4-(sulfinylamino)benzene
SMILESO=S=Nc1ccc(F)cc1
InChIInChI=1S/C6H4FNOS/c7-5-1-3-6(4-2-5)8-10-9/h1-4H
InChIKeyRUFSBUHKAUZDKK-UHFFFAOYSA-N
XLogP1.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(sulfinylamino)benzene?
The IUPAC name of 1-fluoro-4-(sulfinylamino)benzene (CID 12595704) is 1-fluoro-4-(sulfinylamino)benzene.
What is the SMILES notation for 1-fluoro-4-(sulfinylamino)benzene?
The canonical SMILES for 1-fluoro-4-(sulfinylamino)benzene is O=S=Nc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(sulfinylamino)benzene?
The InChIKey is RUFSBUHKAUZDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNOS/c7-5-1-3-6(4-2-5)8-10-9/h1-4H.
What are the key properties of 1-fluoro-4-(sulfinylamino)benzene?
1-fluoro-4-(sulfinylamino)benzene has a molecular weight of 157.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(sulfinylamino)benzene is sourced from PubChem (CID 12595704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).