2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine

C16H11FN2O3S — CID 166234271

IUPAC2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C16H11FN2O3S/c17-12-10-18-16(19-11-12)22-13-6-8-15(9-7-13)23(20,21)14-4-2-1-3-5-14/h1-11H
InChIKeyTZAIHWKUAGNCPO-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.24
Rot. Bonds4

About 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine

2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine (PubChem CID 166234271) has the molecular formula C16H11FN2O3S and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
PubChem CID166234271
Molecular FormulaC16H11FN2O3S
Molecular Weight330.34 g/mol
Exact Mass330.05
IUPAC Name2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C16H11FN2O3S/c17-12-10-18-16(19-11-12)22-13-6-8-15(9-7-13)23(20,21)14-4-2-1-3-5-14/h1-11H
InChIKeyTZAIHWKUAGNCPO-UHFFFAOYSA-N
XLogP3.24
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine (CID 166234271) is 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine is O=S(=O)(c1ccccc1)c1ccc(Oc2ncc(F)cn2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine?
The InChIKey is TZAIHWKUAGNCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S/c17-12-10-18-16(19-11-12)22-13-6-8-15(9-7-13)23(20,21)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine?
2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine has a molecular weight of 330.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine is sourced from PubChem (CID 166234271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).