2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide

C22H25N5O3S — CID 122299471

IUPAC2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C22H25N5O3S/c28-31(29,16-15-30-21-9-5-2-6-10-21)25-19-17-23-22(24-18-19)27-13-11-26(12-14-27)20-7-3-1-4-8-20/h1-10,17-18,25H,11-16H2
InChIKeyGDRVGDHQTKWUOV-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.62
Rot. Bonds8

About 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide

2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide (PubChem CID 122299471) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
PubChem CID122299471
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C22H25N5O3S/c28-31(29,16-15-30-21-9-5-2-6-10-21)25-19-17-23-22(24-18-19)27-13-11-26(12-14-27)20-7-3-1-4-8-20/h1-10,17-18,25H,11-16H2
InChIKeyGDRVGDHQTKWUOV-UHFFFAOYSA-N
XLogP2.62
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-(2-morpholin-4-ylpyrimidin-5-yl)propane-1-sulfonamide
CID 71790207
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122299676
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
CID 122298530
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 97428277
N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 72719688

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide (CID 122299471) is 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide?
The InChIKey is GDRVGDHQTKWUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c28-31(29,16-15-30-21-9-5-2-6-10-21)25-19-17-23-22(24-18-19)27-13-11-26(12-14-27)20-7-3-1-4-8-20/h1-10,17-18,25H,11-16H2.
What are the key properties of 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide?
2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide is sourced from PubChem (CID 122299471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).