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

C13H18FN3O3S — CID 91626444

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CC1
InChIInChI=1S/C13H18FN3O3S/c14-9-7-15-13(16-8-9)20-11-3-1-10(2-4-11)17-21(18,19)12-5-6-12/h7-8,10-12,17H,1-6H2
InChIKeyUPVUWHPGMIJHMF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds5

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide (PubChem CID 91626444) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide
PubChem CID91626444
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CC1
InChIInChI=1S/C13H18FN3O3S/c14-9-7-15-13(16-8-9)20-11-3-1-10(2-4-11)17-21(18,19)12-5-6-12/h7-8,10-12,17H,1-6H2
InChIKeyUPVUWHPGMIJHMF-UHFFFAOYSA-N
XLogP1.39
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide 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]cyclopropanesulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide (CID 91626444) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide is O=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide?
The InChIKey is UPVUWHPGMIJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-9-7-15-13(16-8-9)20-11-3-1-10(2-4-11)17-21(18,19)12-5-6-12/h7-8,10-12,17H,1-6H2.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclopropanesulfonamide has a molecular weight of 315.37 g/mol, XLogP of 1.39, 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]cyclopropanesulfonamide is sourced from PubChem (CID 91626444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).