N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide

C12H18FNO2S — CID 61357200

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC
InChIInChI=1S/C12H18FNO2S/c1-4-14(17(15,16)5-2)10(3)11-6-8-12(13)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyQCZHLGHMIHUHSO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide (PubChem CID 61357200) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
PubChem CID61357200
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC
InChIInChI=1S/C12H18FNO2S/c1-4-14(17(15,16)5-2)10(3)11-6-8-12(13)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyQCZHLGHMIHUHSO-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 55913663
4-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61301534
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide
CID 176509363
N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide
CID 176509397
3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]propanoic acid
CID 60950963
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55913793
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide (CID 61357200) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide?
The InChIKey is QCZHLGHMIHUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-4-14(17(15,16)5-2)10(3)11-6-8-12(13)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 61357200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).