N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide

C10H14FNO3S — CID 47304916

IUPACN-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-2-15-7-6-12-16(13,14)10-5-3-4-9(11)8-10/h3-5,8,12H,2,6-7H2,1H3
InChIKeyHOGPWVVPLBLRDN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.14
Rot. Bonds6

About N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide

N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide (PubChem CID 47304916) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
PubChem CID47304916
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-2-15-7-6-12-16(13,14)10-5-3-4-9(11)8-10/h3-5,8,12H,2,6-7H2,1H3
InChIKeyHOGPWVVPLBLRDN-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43591361
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide (CID 47304916) is N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide is CCOCCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide?
The InChIKey is HOGPWVVPLBLRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-2-15-7-6-12-16(13,14)10-5-3-4-9(11)8-10/h3-5,8,12H,2,6-7H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide?
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 47304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).