[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol

C12H17FN2O4S — CID 81206496

IUPAC[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCOC(CO)C2)c1F
InChIInChI=1S/C12H17FN2O4S/c1-8-4-9(14)5-11(12(8)13)20(17,18)15-2-3-19-10(6-15)7-16/h4-5,10,16H,2-3,6-7,14H2,1H3
InChIKeyTXNPRFYLDUQNDV-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.10
Rot. Bonds3

About [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol

[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81206496) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81206496
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CCOC(CO)C2)c1F
InChIInChI=1S/C12H17FN2O4S/c1-8-4-9(14)5-11(12(8)13)20(17,18)15-2-3-19-10(6-15)7-16/h4-5,10,16H,2-3,6-7,14H2,1H3
InChIKeyTXNPRFYLDUQNDV-UHFFFAOYSA-N
XLogP0.10
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol (CID 81206496) is [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol is Cc1cc(N)cc(S(=O)(=O)N2CCOC(CO)C2)c1F.
What is the InChIKey of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is TXNPRFYLDUQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8-4-9(14)5-11(12(8)13)20(17,18)15-2-3-19-10(6-15)7-16/h4-5,10,16H,2-3,6-7,14H2,1H3.
What are the key properties of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
[4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 304.34 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).