5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

C11H17FN2O4S2 — CID 79552160

IUPAC5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cc(N)ccc1F)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-6-8(13)4-5-9(10)12/h4-6,14H,7,13H2,1-3H3
InChIKeyWYOCNELZFIFKON-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.51
Rot. Bonds5

About 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 79552160) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
PubChem CID79552160
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC Name5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cc(N)ccc1F)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-6-8(13)4-5-9(10)12/h4-6,14H,7,13H2,1-3H3
InChIKeyWYOCNELZFIFKON-UHFFFAOYSA-N
XLogP0.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.51
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

5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63305909

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (CID 79552160) is 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1cc(N)ccc1F)S(C)(=O)=O.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is WYOCNELZFIFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-6-8(13)4-5-9(10)12/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 79552160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).