2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide

C10H15FN2O3S2 — CID 113483973

IUPAC2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(F)ccc1N)S(C)=O
InChIInChI=1S/C10H15FN2O3S2/c1-7(17(2)14)6-13-18(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyIHQWRJRUTXYFTL-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.45
Rot. Bonds5

About 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide

2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide (PubChem CID 113483973) has the molecular formula C10H15FN2O3S2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
PubChem CID113483973
Molecular FormulaC10H15FN2O3S2
Molecular Weight294.37 g/mol
Exact Mass294.05
IUPAC Name2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(F)ccc1N)S(C)=O
InChIInChI=1S/C10H15FN2O3S2/c1-7(17(2)14)6-13-18(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyIHQWRJRUTXYFTL-UHFFFAOYSA-N
XLogP0.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 103077682
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
methyl 4-amino-2-(2-methylsulfinylpropylsulfamoyl)benzoate
CID 102931650
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
3-fluoro-N-(2-methylsulfinylpropyl)-2-nitrobenzenesulfonamide
CID 115763672
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide (CID 113483973) is 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cc(F)ccc1N)S(C)=O.
What is the InChIKey of 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
The InChIKey is IHQWRJRUTXYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S2/c1-7(17(2)14)6-13-18(15,16)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide?
2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide has a molecular weight of 294.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide is sourced from PubChem (CID 113483973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).