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

C20H17F2NO3S — CID 1490745

IUPAC4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO3S/c21-17-6-4-15(5-7-17)13-26-14-16-2-1-3-19(12-16)23-27(24,25)20-10-8-18(22)9-11-20/h1-12,23H,13-14H2
InChIKeyIIHAYRCUQIYICK-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.48
Rot. Bonds7

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

4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide (PubChem CID 1490745) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
PubChem CID1490745
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO3S/c21-17-6-4-15(5-7-17)13-26-14-16-2-1-3-19(12-16)23-27(24,25)20-10-8-18(22)9-11-20/h1-12,23H,13-14H2
InChIKeyIIHAYRCUQIYICK-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
CID 22205673
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
CID 145477038
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide (CID 1490745) is 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide?
The InChIKey is IIHAYRCUQIYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c21-17-6-4-15(5-7-17)13-26-14-16-2-1-3-19(12-16)23-27(24,25)20-10-8-18(22)9-11-20/h1-12,23H,13-14H2.
What are the key properties of 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide?
4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 1490745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).