5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide

C13H21FN2O2S — CID 80646485

IUPAC5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCCC(C)C)c1F
InChIInChI=1S/C13H21FN2O2S/c1-9(2)5-4-6-16-19(17,18)12-8-11(15)7-10(3)13(12)14/h7-9,16H,4-6,15H2,1-3H3
InChIKeyVFCVMUMZNKVYJF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.43
Rot. Bonds6

About 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide

5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide (PubChem CID 80646485) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
PubChem CID80646485
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCCC(C)C)c1F
InChIInChI=1S/C13H21FN2O2S/c1-9(2)5-4-6-16-19(17,18)12-8-11(15)7-10(3)13(12)14/h7-9,16H,4-6,15H2,1-3H3
InChIKeyVFCVMUMZNKVYJF-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
3,4-difluoro-5-(4-methylpentylsulfamoyl)benzoic acid
CID 104654442
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004393
5-amino-N-(2-ethyl-2-hydroxybutyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645577
5-amino-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 80646566
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide (CID 80646485) is 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCCC(C)C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide?
The InChIKey is VFCVMUMZNKVYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-9(2)5-4-6-16-19(17,18)12-8-11(15)7-10(3)13(12)14/h7-9,16H,4-6,15H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide?
5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 80646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).