N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide

C15H16FNO3S — CID 166198120

IUPACN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCOCc1cc(CNS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-20-11-13-9-12(7-8-15(13)16)10-17-21(18,19)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3
InChIKeyBSFWRAZGLOQFJW-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.45
Rot. Bonds6

About N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide

N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 166198120) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID166198120
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCOCc1cc(CNS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-20-11-13-9-12(7-8-15(13)16)10-17-21(18,19)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3
InChIKeyBSFWRAZGLOQFJW-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

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
CID 39636523
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823083
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
N-[[3-(methoxymethyl)-4-methylphenyl]methyl]methanesulfonamide
CID 59268334
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide
CID 126790796
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide (CID 166198120) is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide is COCc1cc(CNS(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is BSFWRAZGLOQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-11-13-9-12(7-8-15(13)16)10-17-21(18,19)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide?
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide 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 N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 166198120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).