N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide

C18H17FN4O3S — CID 90314393

IUPACN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide
SMILESCOc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H17FN4O3S/c1-26-18-12(11-5-3-4-6-14(11)23-27(2,24)25)7-8-13(17(18)19)15-9-22-16(20)10-21-15/h3-10,23H,1-2H3,(H2,20,22)
InChIKeyQPNRJVLFGWUWBZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide

N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide (PubChem CID 90314393) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide
PubChem CID90314393
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide
SMILESCOc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H17FN4O3S/c1-26-18-12(11-5-3-4-6-14(11)23-27(2,24)25)7-8-13(17(18)19)15-9-22-16(20)10-21-15/h3-10,23H,1-2H3,(H2,20,22)
InChIKeyQPNRJVLFGWUWBZ-UHFFFAOYSA-N
XLogP2.91
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide (CID 90314393) is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide is COc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide?
The InChIKey is QPNRJVLFGWUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-26-18-12(11-5-3-4-6-14(11)23-27(2,24)25)7-8-13(17(18)19)15-9-22-16(20)10-21-15/h3-10,23H,1-2H3,(H2,20,22).
What are the key properties of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide?
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methoxyphenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 90314393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).