3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide

C11H17FN2O5S — CID 106181908

IUPAC3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H17FN2O5S/c1-18-6-7(5-15)14-20(16,17)8-3-9(12)11(19-2)10(13)4-8/h3-4,7,14-15H,5-6,13H2,1-2H3
InChIKeyJRNDHCVPBORJJJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.30
Rot. Bonds7

About 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide

3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 106181908) has the molecular formula C11H17FN2O5S and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID106181908
Molecular FormulaC11H17FN2O5S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H17FN2O5S/c1-18-6-7(5-15)14-20(16,17)8-3-9(12)11(19-2)10(13)4-8/h3-4,7,14-15H,5-6,13H2,1-2H3
InChIKeyJRNDHCVPBORJJJ-UHFFFAOYSA-N
XLogP-0.30
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114624949
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626124
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
3-amino-5-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxybenzenesulfonamide
CID 106308791

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide (CID 106181908) is 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide is COCC(CO)NS(=O)(=O)c1cc(N)c(OC)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is JRNDHCVPBORJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O5S/c1-18-6-7(5-15)14-20(16,17)8-3-9(12)11(19-2)10(13)4-8/h3-4,7,14-15H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide?
3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).