N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide

C12H12FN3O3S — CID 70001090

IUPACN-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C12H12FN3O3S/c1-2-16-20(17,18)11-5-3-10(4-6-11)19-12-14-7-9(13)8-15-12/h3-8,16H,2H2,1H3
InChIKeyQTRZLBNOVAZAKV-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide

N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide (PubChem CID 70001090) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide
PubChem CID70001090
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC NameN-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ncc(F)cn2)cc1
InChIInChI=1S/C12H12FN3O3S/c1-2-16-20(17,18)11-5-3-10(4-6-11)19-12-14-7-9(13)8-15-12/h3-8,16H,2H2,1H3
InChIKeyQTRZLBNOVAZAKV-UHFFFAOYSA-N
XLogP1.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide?
The IUPAC name of N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide (CID 70001090) is N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(Oc2ncc(F)cn2)cc1.
What is the InChIKey of N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide?
The InChIKey is QTRZLBNOVAZAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-2-16-20(17,18)11-5-3-10(4-6-11)19-12-14-7-9(13)8-15-12/h3-8,16H,2H2,1H3.
What are the key properties of N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide?
N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoropyrimidin-2-yl)oxybenzenesulfonamide is sourced from PubChem (CID 70001090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).