(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine

C20H21FN6O4S — CID 127042349

IUPAC(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine
SMILESCN(C)S(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN6O4S/c1-25(2)32(29,30)24-11-16-13-26(20(28)31-16)15-6-7-19(17(21)9-15)27-12-14(10-23-27)18-5-3-4-8-22-18/h3-10,12,16,24H,11,13H2,1-2H3/t16-/m0/s1
InChIKeyPNXNGGOXLVQLMI-INIZCTEOSA-N
MW460.49 g/mol
LogP1.79
Rot. Bonds7

About (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine

(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine (PubChem CID 127042349) has the molecular formula C20H21FN6O4S and a molecular weight of 460.49 g/mol. Its IUPAC name is (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine.

Molecular Properties

Compound Name(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine
PubChem CID127042349
Molecular FormulaC20H21FN6O4S
Molecular Weight460.49 g/mol
Exact Mass460.13
IUPAC Name(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine
SMILESCN(C)S(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN6O4S/c1-25(2)32(29,30)24-11-16-13-26(20(28)31-16)15-6-7-19(17(21)9-15)27-12-14(10-23-27)18-5-3-4-8-22-18/h3-10,12,16,24H,11,13H2,1-2H3/t16-/m0/s1
InChIKeyPNXNGGOXLVQLMI-INIZCTEOSA-N
XLogP1.79
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine?
The IUPAC name of (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine (CID 127042349) is (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine.
What is the SMILES notation for (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine?
The canonical SMILES for (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine is CN(C)S(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine?
The InChIKey is PNXNGGOXLVQLMI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN6O4S/c1-25(2)32(29,30)24-11-16-13-26(20(28)31-16)15-6-7-19(17(21)9-15)27-12-14(10-23-27)18-5-3-4-8-22-18/h3-10,12,16,24H,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine?
(5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine has a molecular weight of 460.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(dimethylsulfamoylamino)methyl]-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidine is sourced from PubChem (CID 127042349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).