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

C18H17FN4O2S — CID 90312625

IUPACN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide
SMILESCc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H17FN4O2S/c1-11-12(13-5-3-4-6-15(13)23-26(2,24)25)7-8-14(18(11)19)16-9-22-17(20)10-21-16/h3-10,23H,1-2H3,(H2,20,22)
InChIKeyOINNVURUBMFDPC-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.21
Rot. Bonds4

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

N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide (PubChem CID 90312625) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide
PubChem CID90312625
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide
SMILESCc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C18H17FN4O2S/c1-11-12(13-5-3-4-6-15(13)23-26(2,24)25)7-8-14(18(11)19)16-9-22-17(20)10-21-16/h3-10,23H,1-2H3,(H2,20,22)
InChIKeyOINNVURUBMFDPC-UHFFFAOYSA-N
XLogP3.21
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide (CID 90312625) is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide is Cc1c(-c2ccccc2NS(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide?
The InChIKey is OINNVURUBMFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11-12(13-5-3-4-6-15(13)23-26(2,24)25)7-8-14(18(11)19)16-9-22-17(20)10-21-16/h3-10,23H,1-2H3,(H2,20,22).
What are the key properties of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide?
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide has a molecular weight of 372.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluoro-2-methylphenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 90312625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).