N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

C21H15FN4O3S — CID 170394328

IUPACN-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccc(F)cn2)n1)c1ccccc1
InChIInChI=1S/C21H15FN4O3S/c22-15-11-12-18(23-14-15)19-13-20(29-16-7-3-1-4-8-16)25-21(24-19)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H,24,25,26)
InChIKeyACKZJXMNSVPSBT-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.27
Rot. Bonds6

About N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170394328) has the molecular formula C21H15FN4O3S and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170394328
Molecular FormulaC21H15FN4O3S
Molecular Weight422.44 g/mol
Exact Mass422.08
IUPAC NameN-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccc(F)cn2)n1)c1ccccc1
InChIInChI=1S/C21H15FN4O3S/c22-15-11-12-18(23-14-15)19-13-20(29-16-7-3-1-4-8-16)25-21(24-19)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H,24,25,26)
InChIKeyACKZJXMNSVPSBT-UHFFFAOYSA-N
XLogP4.27
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440
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-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225
N-[4-(4,4-dimethyloxan-2-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247827

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170394328) is N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccc(F)cn2)n1)c1ccccc1.
What is the InChIKey of N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is ACKZJXMNSVPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3S/c22-15-11-12-18(23-14-15)19-13-20(29-16-7-3-1-4-8-16)25-21(24-19)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H,24,25,26).
What are the key properties of N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 422.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170394328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).