N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide

C12H18FNO3S — CID 110777401

IUPACN-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C12H18FNO3S/c1-3-5-8-18(15,16)14-10-6-7-12(17-4-2)11(13)9-10/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyQASLRIMIVURUMX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.77
Rot. Bonds7

About N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide

N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide (PubChem CID 110777401) has the molecular formula C12H18FNO3S and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
PubChem CID110777401
Molecular FormulaC12H18FNO3S
Molecular Weight275.35 g/mol
Exact Mass275.10
IUPAC NameN-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(OCC)c(F)c1
InChIInChI=1S/C12H18FNO3S/c1-3-5-8-18(15,16)14-10-6-7-12(17-4-2)11(13)9-10/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyQASLRIMIVURUMX-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
CID 113399764
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide (CID 110777401) is N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(OCC)c(F)c1.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide?
The InChIKey is QASLRIMIVURUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-3-5-8-18(15,16)14-10-6-7-12(17-4-2)11(13)9-10/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide?
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 110777401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).