N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide

C12H19FN2O2S — CID 43386603

IUPACN-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNFCCDTZDLXJZOA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.45
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide

N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 43386603) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
PubChem CID43386603
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyNFCCDTZDLXJZOA-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide (CID 43386603) is N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is NFCCDTZDLXJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43386603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).