N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide

C22H15F3N4O3S — CID 170394440

IUPACN-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2cccnc2C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C22H15F3N4O3S/c23-22(24,25)20-17(12-7-13-26-20)18-14-19(32-15-8-3-1-4-9-15)28-21(27-18)29-33(30,31)16-10-5-2-6-11-16/h1-14H,(H,27,28,29)
InChIKeyTYELYJVSNAPEMU-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.15
Rot. Bonds6

About N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide

N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide (PubChem CID 170394440) has the molecular formula C22H15F3N4O3S and a molecular weight of 472.45 g/mol. Its IUPAC name is N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
PubChem CID170394440
Molecular FormulaC22H15F3N4O3S
Molecular Weight472.45 g/mol
Exact Mass472.08
IUPAC NameN-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2cccnc2C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C22H15F3N4O3S/c23-22(24,25)20-17(12-7-13-26-20)18-14-19(32-15-8-3-1-4-9-15)28-21(27-18)29-33(30,31)16-10-5-2-6-11-16/h1-14H,(H,27,28,29)
InChIKeyTYELYJVSNAPEMU-UHFFFAOYSA-N
XLogP5.15
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
3-amino-N-[4-(4-chlorophenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 170392697
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225

Frequently Asked Questions

What is the IUPAC name of N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide (CID 170394440) is N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2cccnc2C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is TYELYJVSNAPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O3S/c23-22(24,25)20-17(12-7-13-26-20)18-14-19(32-15-8-3-1-4-9-15)28-21(27-18)29-33(30,31)16-10-5-2-6-11-16/h1-14H,(H,27,28,29).
What are the key properties of N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide?
N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 472.45 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170394440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).