(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide

C15H16FN5O4S — CID 164641703

IUPAC(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide
SMILESCO[C@@H](CS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O4S/c1-9-7-13(22)21-15(17-9)18-14(19-21)20-26(23,24)8-12(25-2)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyOBOJXWOSCBYTSW-LBPRGKRZSA-N
MW381.39 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide

(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide (PubChem CID 164641703) has the molecular formula C15H16FN5O4S and a molecular weight of 381.39 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide
PubChem CID164641703
Molecular FormulaC15H16FN5O4S
Molecular Weight381.39 g/mol
Exact Mass381.09
IUPAC Name(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide
SMILESCO[C@@H](CS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O4S/c1-9-7-13(22)21-15(17-9)18-14(19-21)20-26(23,24)8-12(25-2)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyOBOJXWOSCBYTSW-LBPRGKRZSA-N
XLogP0.99
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide (CID 164641703) is (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide is CO[C@@H](CS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[nH]1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide?
The InChIKey is OBOJXWOSCBYTSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FN5O4S/c1-9-7-13(22)21-15(17-9)18-14(19-21)20-26(23,24)8-12(25-2)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H2,17,18,19,20)/t12-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide?
(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide has a molecular weight of 381.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 164641703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).