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

C13H20FN3O3S — CID 90634532

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3O3S/c1-9(2)21(18,19)17-11-3-5-12(6-4-11)20-13-15-7-10(14)8-16-13/h7-9,11-12,17H,3-6H2,1-2H3
InChIKeyRYBRXHJOXQWPPK-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds5

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide (PubChem CID 90634532) 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-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide
PubChem CID90634532
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3O3S/c1-9(2)21(18,19)17-11-3-5-12(6-4-11)20-13-15-7-10(14)8-16-13/h7-9,11-12,17H,3-6H2,1-2H3
InChIKeyRYBRXHJOXQWPPK-UHFFFAOYSA-N
XLogP1.63
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide (CID 90634532) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide?
The InChIKey is RYBRXHJOXQWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-9(2)21(18,19)17-11-3-5-12(6-4-11)20-13-15-7-10(14)8-16-13/h7-9,11-12,17H,3-6H2,1-2H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propane-2-sulfonamide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 5 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-2-sulfonamide is sourced from PubChem (CID 90634532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).