N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide

C17H17FN4O3S — CID 91626208

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN4O3S/c18-12-1-7-15(8-2-12)26(23,24)22-13-3-5-14(6-4-13)25-17-16(11-19)20-9-10-21-17/h1-2,7-10,13-14,22H,3-6H2
InChIKeyYJVMUYKBXLNROK-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.16
Rot. Bonds5

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide (PubChem CID 91626208) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide
PubChem CID91626208
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN4O3S/c18-12-1-7-15(8-2-12)26(23,24)22-13-3-5-14(6-4-13)25-17-16(11-19)20-9-10-21-17/h1-2,7-10,13-14,22H,3-6H2
InChIKeyYJVMUYKBXLNROK-UHFFFAOYSA-N
XLogP2.16
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.16
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]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide (CID 91626208) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide is N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide?
The InChIKey is YJVMUYKBXLNROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-12-1-7-15(8-2-12)26(23,24)22-13-3-5-14(6-4-13)25-17-16(11-19)20-9-10-21-17/h1-2,7-10,13-14,22H,3-6H2.
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.16, 5 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 91626208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).