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

C13H19FN2O4S — CID 102931824

IUPAC[4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)OC(CO)C2)c1F
InChIInChI=1S/C13H19FN2O4S/c1-8-3-10(15)4-12(13(8)14)21(18,19)16-5-9(2)20-11(6-16)7-17/h3-4,9,11,17H,5-7,15H2,1-2H3
InChIKeyWOOOSMFTWLFGIC-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.49
Rot. Bonds3

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

[4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931824) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931824
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name[4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)OC(CO)C2)c1F
InChIInChI=1S/C13H19FN2O4S/c1-8-3-10(15)4-12(13(8)14)21(18,19)16-5-9(2)20-11(6-16)7-17/h3-4,9,11,17H,5-7,15H2,1-2H3
InChIKeyWOOOSMFTWLFGIC-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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Related Compounds

3-Morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline
CID 155088024
2-Fluoro-3-methyl-5-morpholin-4-ylsulfonylaniline
CID 24270760
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54993654
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54993704
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide
CID 55353367
3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140834
3-amino-5-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 63322319
4-Fluoro-5-(4-methoxypiperidin-1-yl)sulfonyl-2-methylaniline
CID 64192045
5-(3-Ethoxypiperidin-1-yl)sulfonyl-4-fluoro-2-methylaniline
CID 64192080
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethylbenzenesulfonamide
CID 64192081
4-Fluoro-2-methyl-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 64192083
5-(2,5-Dimethylmorpholin-4-yl)sulfonyl-4-fluoro-2-methylaniline
CID 64192241

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931824) is [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is Cc1cc(N)cc(S(=O)(=O)N2CC(C)OC(CO)C2)c1F.
What is the InChIKey of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is WOOOSMFTWLFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-8-3-10(15)4-12(13(8)14)21(18,19)16-5-9(2)20-11(6-16)7-17/h3-4,9,11,17H,5-7,15H2,1-2H3.
What are the key properties of [4-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(5-amino-2-fluoro-3-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-2-fluoro-3-methylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).