N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C16H18FNO3S — CID 95970982

IUPACN-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-21-14-6-4-13(5-7-14)11-18-22(19,20)15-8-9-16(17)12(2)10-15/h4-10,18H,3,11H2,1-2H3
InChIKeyKUIZVYVXBFUMSV-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.01
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 95970982) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID95970982
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-21-14-6-4-13(5-7-14)11-18-22(19,20)15-8-9-16(17)12(2)10-15/h4-10,18H,3,11H2,1-2H3
InChIKeyKUIZVYVXBFUMSV-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

4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
3-[(4-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160178
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 95970982) is N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is KUIZVYVXBFUMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-3-21-14-6-4-13(5-7-14)11-18-22(19,20)15-8-9-16(17)12(2)10-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide 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 N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 95970982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).