[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C13H19FN2O4S — CID 102931871

IUPAC[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H19FN2O4S/c1-8-5-16(6-11(7-17)20-8)21(18,19)13-4-10(15)3-12(14)9(13)2/h3-4,8,11,17H,5-7,15H2,1-2H3
InChIKeyNLIORHOGBHRDOL-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.49
Rot. Bonds3

About [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931871) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931871
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H19FN2O4S/c1-8-5-16(6-11(7-17)20-8)21(18,19)13-4-10(15)3-12(14)9(13)2/h3-4,8,11,17H,5-7,15H2,1-2H3
InChIKeyNLIORHOGBHRDOL-UHFFFAOYSA-N
XLogP0.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.49
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-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931871) is [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is Cc1c(F)cc(N)cc1S(=O)(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is NLIORHOGBHRDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-8-5-16(6-11(7-17)20-8)21(18,19)13-4-10(15)3-12(14)9(13)2/h3-4,8,11,17H,5-7,15H2,1-2H3.
What are the key properties of [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 318.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).