N-butyl-4-fluorobenzenesulfonamide

C10H14FNO2S — CID 2164869

IUPACN-butyl-4-fluorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3
InChIKeyRGFXUQFSTLVNLJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.90
Rot. Bonds5

About N-butyl-4-fluorobenzenesulfonamide

N-butyl-4-fluorobenzenesulfonamide (PubChem CID 2164869) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N-butyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-fluorobenzenesulfonamide
PubChem CID2164869
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN-butyl-4-fluorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3
InChIKeyRGFXUQFSTLVNLJ-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-butyl-4-fluorobenzenesulfonamide (CID 2164869) is N-butyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-butyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-butyl-4-fluorobenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-4-fluorobenzenesulfonamide?
The InChIKey is RGFXUQFSTLVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3.
What are the key properties of N-butyl-4-fluorobenzenesulfonamide?
N-butyl-4-fluorobenzenesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2164869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).