N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide

C13H20FNO3S — CID 110758081

IUPACN-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(OCC)c(F)c1
InChIInChI=1S/C13H20FNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLCLBOGDNSNWGHZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.64
Rot. Bonds7

About N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide

N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 110758081) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
PubChem CID110758081
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(OCC)c(F)c1
InChIInChI=1S/C13H20FNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLCLBOGDNSNWGHZ-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide (CID 110758081) is N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(OCC)c(F)c1.
What is the InChIKey of N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LCLBOGDNSNWGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide?
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 110758081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).