N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide

C12H15FN4O2S — CID 43731877

IUPACN-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H15FN4O2S/c1-8-9(7-15-16-8)6-14-10-3-4-11(13)12(5-10)17-20(2,18)19/h3-5,7,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyJFHVUCOIYZZPNH-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.84
Rot. Bonds5

About N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide

N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43731877) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43731877
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC NameN-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H15FN4O2S/c1-8-9(7-15-16-8)6-14-10-3-4-11(13)12(5-10)17-20(2,18)19/h3-5,7,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyJFHVUCOIYZZPNH-UHFFFAOYSA-N
XLogP1.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide (CID 43731877) is N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide is Cc1[nH]ncc1CNc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is JFHVUCOIYZZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-8-9(7-15-16-8)6-14-10-3-4-11(13)12(5-10)17-20(2,18)19/h3-5,7,14,17H,6H2,1-2H3,(H,15,16).
What are the key properties of N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43731877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).