[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H17FN2O4S — CID 102931883

IUPAC[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(CO)O1
InChIInChI=1S/C12H17FN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-12(14)11(13)4-10/h2-4,8-9,16H,5-7,14H2,1H3
InChIKeyXRRRQDURNRWHCA-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.18
Rot. Bonds3

About [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931883) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931883
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(CO)O1
InChIInChI=1S/C12H17FN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-12(14)11(13)4-10/h2-4,8-9,16H,5-7,14H2,1H3
InChIKeyXRRRQDURNRWHCA-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931883) is [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(CO)O1.
What is the InChIKey of [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is XRRRQDURNRWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-12(14)11(13)4-10/h2-4,8-9,16H,5-7,14H2,1H3.
What are the key properties of [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 304.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).