N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide

C17H16F2N4O3S — CID 91626214

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16F2N4O3S/c18-11-1-6-14(19)16(9-11)27(24,25)23-12-2-4-13(5-3-12)26-17-15(10-20)21-7-8-22-17/h1,6-9,12-13,23H,2-5H2
InChIKeyVRDXWTNAGBDOKY-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.29
Rot. Bonds5

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide (PubChem CID 91626214) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
PubChem CID91626214
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESN#Cc1nccnc1OC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H16F2N4O3S/c18-11-1-6-14(19)16(9-11)27(24,25)23-12-2-4-13(5-3-12)26-17-15(10-20)21-7-8-22-17/h1,6-9,12-13,23H,2-5H2
InChIKeyVRDXWTNAGBDOKY-UHFFFAOYSA-N
XLogP2.29
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.29
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]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide (CID 91626214) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide is N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is VRDXWTNAGBDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c18-11-1-6-14(19)16(9-11)27(24,25)23-12-2-4-13(5-3-12)26-17-15(10-20)21-7-8-22-17/h1,6-9,12-13,23H,2-5H2.
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 394.40 g/mol, XLogP of 2.29, 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]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 91626214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).