N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

C16H18FNO3S — CID 110409723

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO3S/c1-21-16-4-2-3-13(11-16)9-10-22(19,20)18-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyVKASLGVOISUNFV-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.50
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110409723) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110409723
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO3S/c1-21-16-4-2-3-13(11-16)9-10-22(19,20)18-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyVKASLGVOISUNFV-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110409723) is N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is VKASLGVOISUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-21-16-4-2-3-13(11-16)9-10-22(19,20)18-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110409723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).