4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide

C16H18FNO3S — CID 110780034

IUPAC4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-12-4-7-14(8-5-12)22(19,20)18-11-13-6-9-16(21-2)15(17)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyRCCYVOMGJQJNBD-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.88
Rot. Bonds6

About 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 110780034) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID110780034
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO3S/c1-3-12-4-7-14(8-5-12)22(19,20)18-11-13-6-9-16(21-2)15(17)10-13/h4-10,18H,3,11H2,1-2H3
InChIKeyRCCYVOMGJQJNBD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 25046521
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110780040
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110780059
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide (CID 110780034) is 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is RCCYVOMGJQJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-3-12-4-7-14(8-5-12)22(19,20)18-11-13-6-9-16(21-2)15(17)10-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).