2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

C14H23FN2O2S — CID 79187326

IUPAC2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C14H23FN2O2S/c1-5-12(6-2)17(4)20(18,19)14-8-7-11(10-16-3)9-13(14)15/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyGPMWVLQQYOEBFA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.35
Rot. Bonds7

About 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 79187326) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID79187326
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C14H23FN2O2S/c1-5-12(6-2)17(4)20(18,19)14-8-7-11(10-16-3)9-13(14)15/h7-9,12,16H,5-6,10H2,1-4H3
InChIKeyGPMWVLQQYOEBFA-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 79187110
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064533
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2-fluoro-4-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083931
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 116528987
N-[2-(diethylamino)ethyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106034982
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (CID 79187326) is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(C)S(=O)(=O)c1ccc(CNC)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is GPMWVLQQYOEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-5-12(6-2)17(4)20(18,19)14-8-7-11(10-16-3)9-13(14)15/h7-9,12,16H,5-6,10H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 79187326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).