4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C15H16FNO3S — CID 2121784

IUPAC4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-13-6-8-14(9-7-13)21(18,19)17-12-5-4-11(2)15(16)10-12/h4-10,17H,3H2,1-2H3
InChIKeyUZERUUQMAVYJEE-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.33
Rot. Bonds5

About 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 2121784) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID2121784
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-13-6-8-14(9-7-13)21(18,19)17-12-5-4-11(2)15(16)10-12/h4-10,17H,3H2,1-2H3
InChIKeyUZERUUQMAVYJEE-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 35748604
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 2121784) is 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is UZERUUQMAVYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-3-20-13-6-8-14(9-7-13)21(18,19)17-12-5-4-11(2)15(16)10-12/h4-10,17H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2121784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).