2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

C11H17FN2O4S2 — CID 79551282

IUPAC2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1c(N)cccc1F)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-8(12)5-4-6-9(10)13/h4-6,14H,7,13H2,1-3H3
InChIKeyZAAYAJDUKWVGMQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.51
Rot. Bonds5

About 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 79551282) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
PubChem CID79551282
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC Name2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1c(N)cccc1F)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-8(12)5-4-6-9(10)13/h4-6,14H,7,13H2,1-3H3
InChIKeyZAAYAJDUKWVGMQ-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

N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79552160
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
CID 113487178
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 114185734
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide
CID 79225534
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (CID 79551282) is 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1c(N)cccc1F)S(C)(=O)=O.
What is the InChIKey of 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is ZAAYAJDUKWVGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-11(2,19(3,15)16)7-14-20(17,18)10-8(12)5-4-6-9(10)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
2-amino-6-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 2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 79551282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).