N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide

C13H18FN3O3S — CID 150156927

IUPACN-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide
SMILESCCN(c1cc(F)ccc1N1CC=C(O)N1C)S(C)(=O)=O
InChIInChI=1S/C13H18FN3O3S/c1-4-17(21(3,19)20)12-9-10(14)5-6-11(12)16-8-7-13(18)15(16)2/h5-7,9,18H,4,8H2,1-3H3
InChIKeyFGKZXHRCHOZWDQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.68
Rot. Bonds4

About N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide

N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide (PubChem CID 150156927) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide
PubChem CID150156927
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC NameN-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide
SMILESCCN(c1cc(F)ccc1N1CC=C(O)N1C)S(C)(=O)=O
InChIInChI=1S/C13H18FN3O3S/c1-4-17(21(3,19)20)12-9-10(14)5-6-11(12)16-8-7-13(18)15(16)2/h5-7,9,18H,4,8H2,1-3H3
InChIKeyFGKZXHRCHOZWDQ-UHFFFAOYSA-N
XLogP1.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide (CID 150156927) is N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide is CCN(c1cc(F)ccc1N1CC=C(O)N1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is FGKZXHRCHOZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-4-17(21(3,19)20)12-9-10(14)5-6-11(12)16-8-7-13(18)15(16)2/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide?
N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 315.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-fluoro-2-(5-hydroxy-1-methyl-3H-pyrazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 150156927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).