N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C20H20FN3O6S — CID 55684611

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C20H20FN3O6S/c21-17-6-3-15(13-18(17)31(27,28)23-7-10-29-11-8-23)22-19(25)14-1-4-16(5-2-14)24-9-12-30-20(24)26/h1-6,13H,7-12H2,(H,22,25)
InChIKeyYBDLOGMLMAMXEY-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.06
Rot. Bonds5

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 55684611) has the molecular formula C20H20FN3O6S and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID55684611
Molecular FormulaC20H20FN3O6S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C20H20FN3O6S/c21-17-6-3-15(13-18(17)31(27,28)23-7-10-29-11-8-23)22-19(25)14-1-4-16(5-2-14)24-9-12-30-20(24)26/h1-6,13H,7-12H2,(H,22,25)
InChIKeyYBDLOGMLMAMXEY-UHFFFAOYSA-N
XLogP2.06
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55489167
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55731562
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 55684611) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is YBDLOGMLMAMXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O6S/c21-17-6-3-15(13-18(17)31(27,28)23-7-10-29-11-8-23)22-19(25)14-1-4-16(5-2-14)24-9-12-30-20(24)26/h1-6,13H,7-12H2,(H,22,25).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 449.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 55684611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).