N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide

C13H20FN3O3S — CID 90634488

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3O3S/c1-2-7-21(18,19)17-11-3-5-12(6-4-11)20-13-15-8-10(14)9-16-13/h8-9,11-12,17H,2-7H2,1H3
InChIKeyLLKCFROWJUNYAD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds6

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide (PubChem CID 90634488) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide
PubChem CID90634488
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3O3S/c1-2-7-21(18,19)17-11-3-5-12(6-4-11)20-13-15-8-10(14)9-16-13/h8-9,11-12,17H,2-7H2,1H3
InChIKeyLLKCFROWJUNYAD-UHFFFAOYSA-N
XLogP1.64
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide (CID 90634488) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide?
The InChIKey is LLKCFROWJUNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-2-7-21(18,19)17-11-3-5-12(6-4-11)20-13-15-8-10(14)9-16-13/h8-9,11-12,17H,2-7H2,1H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 90634488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).