4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

C16H18FNO3S — CID 33040103

IUPAC4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-21-14-5-7-15(8-6-14)22(19,20)18-11-13-4-9-16(17)12(2)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyDATSISZAHBHPEH-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.01
Rot. Bonds6

About 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 33040103) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
PubChem CID33040103
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-21-14-5-7-15(8-6-14)22(19,20)18-11-13-4-9-16(17)12(2)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyDATSISZAHBHPEH-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
3-[(4-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160178
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398
N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779741

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (CID 33040103) is 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DATSISZAHBHPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-3-21-14-5-7-15(8-6-14)22(19,20)18-11-13-4-9-16(17)12(2)10-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 33040103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).