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

C16H24FN3O3S — CID 90634550

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C16H24FN3O3S/c17-12-10-18-16(19-11-12)23-14-8-6-13(7-9-14)20-24(21,22)15-4-2-1-3-5-15/h10-11,13-15,20H,1-9H2
InChIKeyPMJOJNBKNAQBBE-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.56
Rot. Bonds5

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide (PubChem CID 90634550) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide
PubChem CID90634550
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C16H24FN3O3S/c17-12-10-18-16(19-11-12)23-14-8-6-13(7-9-14)20-24(21,22)15-4-2-1-3-5-15/h10-11,13-15,20H,1-9H2
InChIKeyPMJOJNBKNAQBBE-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide 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]cyclohexanesulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide (CID 90634550) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide is O=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCCCC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide?
The InChIKey is PMJOJNBKNAQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c17-12-10-18-16(19-11-12)23-14-8-6-13(7-9-14)20-24(21,22)15-4-2-1-3-5-15/h10-11,13-15,20H,1-9H2.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]cyclohexanesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 2.56, 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]cyclohexanesulfonamide is sourced from PubChem (CID 90634550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).