N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C20H16F4N2O3S — CID 11611930

IUPACN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O3S/c21-16-9-7-14(8-10-16)12-29-13-17-4-2-6-19(25-17)26-30(27,28)18-5-1-3-15(11-18)20(22,23)24/h1-11H,12-13H2,(H,25,26)
InChIKeyGSKCHOBEPOJHQQ-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.76
Rot. Bonds7

About N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11611930) has the molecular formula C20H16F4N2O3S and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11611930
Molecular FormulaC20H16F4N2O3S
Molecular Weight440.42 g/mol
Exact Mass440.08
IUPAC NameN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O3S/c21-16-9-7-14(8-10-16)12-29-13-17-4-2-6-19(25-17)26-30(27,28)18-5-1-3-15(11-18)20(22,23)24/h1-11H,12-13H2,(H,25,26)
InChIKeyGSKCHOBEPOJHQQ-UHFFFAOYSA-N
XLogP4.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 86604239
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 68842438
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
CID 1490745
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11611930) is N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GSKCHOBEPOJHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O3S/c21-16-9-7-14(8-10-16)12-29-13-17-4-2-6-19(25-17)26-30(27,28)18-5-1-3-15(11-18)20(22,23)24/h1-11H,12-13H2,(H,25,26).
What are the key properties of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 440.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11611930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).