2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H15FN2O4S2 — CID 79849981

IUPAC2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O4S2/c1-13(5-6-18(2,14)15)19(16,17)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKEUZCBKKYUDFHE-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79849981) has the molecular formula C10H15FN2O4S2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79849981
Molecular FormulaC10H15FN2O4S2
Molecular Weight310.37 g/mol
Exact Mass310.05
IUPAC Name2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O4S2/c1-13(5-6-18(2,14)15)19(16,17)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKEUZCBKKYUDFHE-UHFFFAOYSA-N
XLogP0.07
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
5-fluoro-2-methylsulfonylaniline
CID 22567345
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79849981) is 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is KEUZCBKKYUDFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2/c1-13(5-6-18(2,14)15)19(16,17)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79849981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).