[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol

C11H13FN2O6S — CID 81208677

IUPAC[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H13FN2O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeySZMNAEVBUUMYAA-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.12
Rot. Bonds4

About [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol

[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81208677) has the molecular formula C11H13FN2O6S and a molecular weight of 320.30 g/mol. Its IUPAC name is [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81208677
Molecular FormulaC11H13FN2O6S
Molecular Weight320.30 g/mol
Exact Mass320.05
IUPAC Name[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H13FN2O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeySZMNAEVBUUMYAA-UHFFFAOYSA-N
XLogP0.12
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81213005
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
2-(chloromethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211432
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
5-(4-fluoro-2-nitrophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212400
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
2-(chloromethyl)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211515
2-ethyl-4-(3-fluoro-4-nitrophenyl)sulfonylmorpholine
CID 82846633
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
3-(2-ethylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146105
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol (CID 81208677) is [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is SZMNAEVBUUMYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 320.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81208677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).