2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide

C14H23FN2O2S — CID 79187110

IUPAC2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C14H23FN2O2S/c1-4-5-6-9-17(3)20(18,19)14-8-7-12(11-16-2)10-13(14)15/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyWDFMGXCCZOXZGA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.36
Rot. Bonds8

About 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide

2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide (PubChem CID 79187110) 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-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
PubChem CID79187110
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C14H23FN2O2S/c1-4-5-6-9-17(3)20(18,19)14-8-7-12(11-16-2)10-13(14)15/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyWDFMGXCCZOXZGA-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064533
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 105116983
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004
N-[2-(diethylamino)ethyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106034982
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide (CID 79187110) is 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1ccc(CNC)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide?
The InChIKey is WDFMGXCCZOXZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-5-6-9-17(3)20(18,19)14-8-7-12(11-16-2)10-13(14)15/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide?
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.36, 8 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-pentylbenzenesulfonamide is sourced from PubChem (CID 79187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).