1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide

C15H16FNO3S — CID 95173825

IUPAC1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-10-13-3-2-4-15(9-13)17-21(18,19)11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyQEBIKBXQRYTSEF-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide

1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide (PubChem CID 95173825) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide
PubChem CID95173825
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-20-10-13-3-2-4-15(9-13)17-21(18,19)11-12-5-7-14(16)8-6-12/h2-9,17H,10-11H2,1H3
InChIKeyQEBIKBXQRYTSEF-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 72003882
N-[3-(1,3-dioxan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 601167
(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide
CID 102109123
1-(4-fluorophenyl)-N-(4-methoxyphenyl)methanesulfonamide
CID 17741118
1-(2-fluorophenyl)-N-(4-methoxyphenyl)methanesulfonamide
CID 17741216
4-fluoro-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 8518157
1,1,1-trifluoro-N-[3-[2-[(4-iodophenyl)methoxy]ethyl]phenyl]methanesulfonamide
CID 22340154
Benzyl 2,6-difluoro-3-(propane-1-sulfonamido)benzoate
CID 53396460
Propane-1-sulfonic acid (2-fluoro-3-hydroxymethyl-phenyl)-amide
CID 58087499
Propane-1 sulfonic acid (4 fluoro-3-hydroxymethyl-phenyl)-amide
CID 58087735
2,5-difluoro-N-(2-fluoro-3-hydroxymethyl-phenyl)-benzenesulfonamide
CID 58317006
(R)-N-(2-Fluoro-5-(oxiran-2-yl)phenyl)methanesulfonamide
CID 59370772

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide (CID 95173825) is 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide is COCc1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide?
The InChIKey is QEBIKBXQRYTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-10-13-3-2-4-15(9-13)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-(methoxymethyl)phenyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[3-(methoxymethyl)phenyl]methanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.91, 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-(methoxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 95173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).