3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide

C11H17FN2O4S — CID 114624949

IUPAC3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H17FN2O4S/c1-7(6-17-2)14-19(15,16)8-4-9(12)11(18-3)10(13)5-8/h4-5,7,14H,6,13H2,1-3H3
InChIKeyUFRDGFICAAUQSJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.73
Rot. Bonds6

About 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide

3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 114624949) has the molecular formula C11H17FN2O4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID114624949
Molecular FormulaC11H17FN2O4S
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C11H17FN2O4S/c1-7(6-17-2)14-19(15,16)8-4-9(12)11(18-3)10(13)5-8/h4-5,7,14H,6,13H2,1-3H3
InChIKeyUFRDGFICAAUQSJ-UHFFFAOYSA-N
XLogP0.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.73
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-amino-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060
3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
CID 106181908
3-amino-N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626282
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
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
3-amino-5-fluoro-4-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208377
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-5-fluoro-4-methoxy-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 114626195
3-amino-5-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 114626240
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 114624949) is 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1cc(N)c(OC)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is UFRDGFICAAUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S/c1-7(6-17-2)14-19(15,16)8-4-9(12)11(18-3)10(13)5-8/h4-5,7,14H,6,13H2,1-3H3.
What are the key properties of 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 292.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114624949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).