N,N-diethyl-4-fluorobenzenesulfonamide

C10H14FNO2S — CID 669059

IUPACN,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyRQOUFSQZCQYRKK-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.86
Rot. Bonds4

About N,N-diethyl-4-fluorobenzenesulfonamide

N,N-diethyl-4-fluorobenzenesulfonamide (PubChem CID 669059) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N,N-diethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluorobenzenesulfonamide
PubChem CID669059
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyRQOUFSQZCQYRKK-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-fluorobenzenesulfonamide (CID 669059) is N,N-diethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-4-fluorobenzenesulfonamide?
The InChIKey is RQOUFSQZCQYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluorobenzenesulfonamide?
N,N-diethyl-4-fluorobenzenesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 669059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).