N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide

C16H18FNO3S — CID 110780051

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO3S/c1-21-16-8-7-14(11-15(16)17)12-18-22(19,20)10-9-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3
InChIKeyDEKOGKQOHHWNDC-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.50
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide (PubChem CID 110780051) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
PubChem CID110780051
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO3S/c1-21-16-8-7-14(11-15(16)17)12-18-22(19,20)10-9-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3
InChIKeyDEKOGKQOHHWNDC-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-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
CID 110782030
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
methyl 4-[(benzylsulfonylamino)methyl]-2-fluorobenzoate
CID 126506140

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide (CID 110780051) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide is COc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide?
The InChIKey is DEKOGKQOHHWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-21-16-8-7-14(11-15(16)17)12-18-22(19,20)10-9-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide 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-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110780051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).