N-butyl-N-ethyl-4-fluorobenzenesulfonamide

C12H18FNO2S — CID 2164637

IUPACN-butyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyURHQZLJJQBCJJW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds6

About N-butyl-N-ethyl-4-fluorobenzenesulfonamide

N-butyl-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 2164637) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID2164637
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-butyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyURHQZLJJQBCJJW-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-butyl-N-ethyl-4-fluorobenzenesulfonamide (CID 2164637) is N-butyl-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-butyl-N-ethyl-4-fluorobenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is URHQZLJJQBCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-4-fluorobenzenesulfonamide?
N-butyl-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2164637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).