N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide

C16H18FNO3S — CID 100502447

IUPACN-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-18(14-7-9-15(10-8-14)21-4-2)22(19,20)16-11-5-13(17)6-12-16/h5-12H,3-4H2,1-2H3
InChIKeyBHEBMVFDNNSFKA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.44
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide

N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 100502447) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID100502447
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-18(14-7-9-15(10-8-14)21-4-2)22(19,20)16-11-5-13(17)6-12-16/h5-12H,3-4H2,1-2H3
InChIKeyBHEBMVFDNNSFKA-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30249527
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 100502447) is N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide is CCOc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is BHEBMVFDNNSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-3-18(14-7-9-15(10-8-14)21-4-2)22(19,20)16-11-5-13(17)6-12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide?
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 100502447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).