O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine

C19H22FNO3S — CID 19379934

IUPACO-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine
SMILESCOC1(c2cc(F)cc(Sc3ccc(CON)cc3)c2)CCOCC1
InChIInChI=1S/C19H22FNO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)25-17-4-2-14(3-5-17)13-24-21/h2-5,10-12H,6-9,13,21H2,1H3
InChIKeyDFLIWFSLNLDXHT-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.02
Rot. Bonds6

About O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine

O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine (PubChem CID 19379934) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine
PubChem CID19379934
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameO-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine
SMILESCOC1(c2cc(F)cc(Sc3ccc(CON)cc3)c2)CCOCC1
InChIInChI=1S/C19H22FNO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)25-17-4-2-14(3-5-17)13-24-21/h2-5,10-12H,6-9,13,21H2,1H3
InChIKeyDFLIWFSLNLDXHT-UHFFFAOYSA-N
XLogP4.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine (CID 19379934) is O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine is COC1(c2cc(F)cc(Sc3ccc(CON)cc3)c2)CCOCC1.
What is the InChIKey of O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine?
The InChIKey is DFLIWFSLNLDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)25-17-4-2-14(3-5-17)13-24-21/h2-5,10-12H,6-9,13,21H2,1H3.
What are the key properties of O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine?
O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine has a molecular weight of 363.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 19379934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).