N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide

C15H16FNO3S — CID 2980747

IUPACN-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyZQVABNYNMVPRIX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.70
Rot. Bonds6

About N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide

N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide (PubChem CID 2980747) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
PubChem CID2980747
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyZQVABNYNMVPRIX-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide;hydrochloride
CID 117949685
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 743491
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide (CID 2980747) is N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide?
The InChIKey is ZQVABNYNMVPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3.
What are the key properties of N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide?
N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2980747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).