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

C12H17FN2O5S — CID 114625967

IUPAC[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCOc1c(N)cc(S(=O)(=O)N2CCOC(CO)C2)cc1F
InChIInChI=1S/C12H17FN2O5S/c1-19-12-10(13)4-9(5-11(12)14)21(17,18)15-2-3-20-8(6-15)7-16/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyCICCDSCRSDTRHM-UHFFFAOYSA-N
MW320.34 g/mol
LogP-0.20
Rot. Bonds4

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

[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 114625967) has the molecular formula C12H17FN2O5S and a molecular weight of 320.34 g/mol. Its IUPAC name is [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID114625967
Molecular FormulaC12H17FN2O5S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCOc1c(N)cc(S(=O)(=O)N2CCOC(CO)C2)cc1F
InChIInChI=1S/C12H17FN2O5S/c1-19-12-10(13)4-9(5-11(12)14)21(17,18)15-2-3-20-8(6-15)7-16/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyCICCDSCRSDTRHM-UHFFFAOYSA-N
XLogP-0.20
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114624899
3-fluoro-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 114624782
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212534
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
[4-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 116792040
4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
CID 81209377
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol (CID 114625967) is [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol is COc1c(N)cc(S(=O)(=O)N2CCOC(CO)C2)cc1F.
What is the InChIKey of [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is CICCDSCRSDTRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O5S/c1-19-12-10(13)4-9(5-11(12)14)21(17,18)15-2-3-20-8(6-15)7-16/h4-5,8,16H,2-3,6-7,14H2,1H3.
What are the key properties of [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol?
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 320.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 114625967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).