N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide

C18H19FN4O3S — CID 91626215

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-27(24,25)23-15-5-7-16(8-6-15)26-18-17(11-20)21-9-10-22-18/h1-4,9-10,15-16,23H,5-8,12H2
InChIKeyJHUPHRAFWIXKOK-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.30
Rot. Bonds6

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 91626215) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID91626215
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-27(24,25)23-15-5-7-16(8-6-15)26-18-17(11-20)21-9-10-22-18/h1-4,9-10,15-16,23H,5-8,12H2
InChIKeyJHUPHRAFWIXKOK-UHFFFAOYSA-N
XLogP2.30
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide (CID 91626215) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide is N#Cc1nccnc1OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is JHUPHRAFWIXKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-27(24,25)23-15-5-7-16(8-6-15)26-18-17(11-20)21-9-10-22-18/h1-4,9-10,15-16,23H,5-8,12H2.
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 91626215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).