2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

C19H17F3N4O2S — CID 31535518

IUPAC2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)17-7-8-23-18(24-17)25-9-11-26(12-10-25)29(27,28)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13H,9-12H2
InChIKeyRZXLVKZIIZXMQI-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 31535518) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID31535518
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)17-7-8-23-18(24-17)25-9-11-26(12-10-25)29(27,28)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13H,9-12H2
InChIKeyRZXLVKZIIZXMQI-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 31535518) is 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is RZXLVKZIIZXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)17-7-8-23-18(24-17)25-9-11-26(12-10-25)29(27,28)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13H,9-12H2.
What are the key properties of 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 422.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 31535518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).