1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide

C15H16FNO3S — CID 51339544

IUPAC1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-15-4-2-3-13(9-15)10-17-21(18,19)11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyXBBQBMSIRXQVAK-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.45
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 51339544) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
PubChem CID51339544
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-15-4-2-3-13(9-15)10-17-21(18,19)11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyXBBQBMSIRXQVAK-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide (CID 51339544) is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide is COc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is XBBQBMSIRXQVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-15-4-2-3-13(9-15)10-17-21(18,19)11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 51339544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).