N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H15F3N2O4S — CID 90596443

IUPACN-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)28-15-7-9-17(10-8-15)29(25,26)24-13-14-4-3-5-16(12-14)27-18-6-1-2-11-23-18/h1-12,24H,13H2
InChIKeyLEHKFIZQUFAWDB-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.25
Rot. Bonds7

About N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90596443) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90596443
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC NameN-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O4S/c20-19(21,22)28-15-7-9-17(10-8-15)29(25,26)24-13-14-4-3-5-16(12-14)27-18-6-1-2-11-23-18/h1-12,24H,13H2
InChIKeyLEHKFIZQUFAWDB-UHFFFAOYSA-N
XLogP4.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596461
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158913042
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
N-[[3-[(1R)-1-cyanopropoxy]phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862059
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 90596443) is N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LEHKFIZQUFAWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c20-19(21,22)28-15-7-9-17(10-8-15)29(25,26)24-13-14-4-3-5-16(12-14)27-18-6-1-2-11-23-18/h1-12,24H,13H2.
What are the key properties of N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 424.40 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90596443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).