5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide

C11H17FN2O2S — CID 28716357

IUPAC5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C11H17FN2O2S/c1-3-14(4-2)17(15,16)11-7-9(8-13)5-6-10(11)12/h5-7H,3-4,8,13H2,1-2H3
InChIKeyRIDVERCELKHNLF-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds5

About 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide

5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide (PubChem CID 28716357) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide
PubChem CID28716357
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C11H17FN2O2S/c1-3-14(4-2)17(15,16)11-7-9(8-13)5-6-10(11)12/h5-7H,3-4,8,13H2,1-2H3
InChIKeyRIDVERCELKHNLF-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide (CID 28716357) is 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(CN)ccc1F.
What is the InChIKey of 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide?
The InChIKey is RIDVERCELKHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-3-14(4-2)17(15,16)11-7-9(8-13)5-6-10(11)12/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-diethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 28716357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).