4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide

C12H19FN2O2S — CID 62663350

IUPAC4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H19FN2O2S/c1-3-6-14-7-8-15-18(16,17)12-5-4-11(13)9-10(12)2/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyHCNUBAIJJRTDEM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.41
Rot. Bonds7

About 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 62663350) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID62663350
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H19FN2O2S/c1-3-6-14-7-8-15-18(16,17)12-5-4-11(13)9-10(12)2/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyHCNUBAIJJRTDEM-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
4-fluoro-2-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 34152190
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 62663350) is 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is HCNUBAIJJRTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-6-14-7-8-15-18(16,17)12-5-4-11(13)9-10(12)2/h4-5,9,14-15H,3,6-8H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62663350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).