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

C12H18FN3O3S — CID 90634487

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3O3S/c1-2-20(17,18)16-10-3-5-11(6-4-10)19-12-14-7-9(13)8-15-12/h7-8,10-11,16H,2-6H2,1H3
InChIKeyUTSDOYNHQZUWIZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.25
Rot. Bonds5

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide (PubChem CID 90634487) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide
PubChem CID90634487
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3O3S/c1-2-20(17,18)16-10-3-5-11(6-4-10)19-12-14-7-9(13)8-15-12/h7-8,10-11,16H,2-6H2,1H3
InChIKeyUTSDOYNHQZUWIZ-UHFFFAOYSA-N
XLogP1.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide 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]ethanesulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide (CID 90634487) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide?
The InChIKey is UTSDOYNHQZUWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-2-20(17,18)16-10-3-5-11(6-4-10)19-12-14-7-9(13)8-15-12/h7-8,10-11,16H,2-6H2,1H3.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]ethanesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 1.25, 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]ethanesulfonamide is sourced from PubChem (CID 90634487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).