5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide

C13H21FN2O2S — CID 106327934

IUPAC5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C13H21FN2O2S/c1-5-13(4,6-2)16-19(17,18)12-8-10(15)7-11(14)9(12)3/h7-8,16H,5-6,15H2,1-4H3
InChIKeyWUHLGOFRIAQKJW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.57
Rot. Bonds5

About 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide

5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106327934) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106327934
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C13H21FN2O2S/c1-5-13(4,6-2)16-19(17,18)12-8-10(15)7-11(14)9(12)3/h7-8,16H,5-6,15H2,1-4H3
InChIKeyWUHLGOFRIAQKJW-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106327934) is 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is WUHLGOFRIAQKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-5-13(4,6-2)16-19(17,18)12-8-10(15)7-11(14)9(12)3/h7-8,16H,5-6,15H2,1-4H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106327934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).