N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide

C15H17FN4O3S — CID 91626441

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H17FN4O3S/c16-11-8-18-15(19-9-11)23-13-5-3-12(4-6-13)20-24(21,22)14-2-1-7-17-10-14/h1-2,7-10,12-13,20H,3-6H2
InChIKeyGNEZHTZOLMGBOZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.68
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide (PubChem CID 91626441) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide
PubChem CID91626441
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H17FN4O3S/c16-11-8-18-15(19-9-11)23-13-5-3-12(4-6-13)20-24(21,22)14-2-1-7-17-10-14/h1-2,7-10,12-13,20H,3-6H2
InChIKeyGNEZHTZOLMGBOZ-UHFFFAOYSA-N
XLogP1.68
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide (CID 91626441) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide is O=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cccnc1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide?
The InChIKey is GNEZHTZOLMGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c16-11-8-18-15(19-9-11)23-13-5-3-12(4-6-13)20-24(21,22)14-2-1-7-17-10-14/h1-2,7-10,12-13,20H,3-6H2.
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide has a molecular weight of 352.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91626441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).