5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C11H17FN2O4S2 — CID 79850611

IUPAC5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1N
InChIInChI=1S/C11H17FN2O4S2/c1-8-6-9(12)11(7-10(8)13)20(17,18)14(2)4-5-19(3,15)16/h6-7H,4-5,13H2,1-3H3
InChIKeyDDOWQVFDYQALDB-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.38
Rot. Bonds5

About 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide

5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79850611) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79850611
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC Name5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1N
InChIInChI=1S/C11H17FN2O4S2/c1-8-6-9(12)11(7-10(8)13)20(17,18)14(2)4-5-19(3,15)16/h6-7H,4-5,13H2,1-3H3
InChIKeyDDOWQVFDYQALDB-UHFFFAOYSA-N
XLogP0.38
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.38
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-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
2-bromo-5-(chloromethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 114363680
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 105117594
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
5-(chloromethyl)-N,2,4-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79842606
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
3-amino-N,2,6-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849889

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79850611) is 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1N.
What is the InChIKey of 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is DDOWQVFDYQALDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-8-6-9(12)11(7-10(8)13)20(17,18)14(2)4-5-19(3,15)16/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79850611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).