N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

C20H21N3O6S — CID 175417956

IUPACN-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1NCCOC1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H21N3O6S/c24-19-18(28-11-10-21-19)14-6-8-15(9-7-14)23-13-16(29-20(23)25)12-22-30(26,27)17-4-2-1-3-5-17/h1-9,16,18,22H,10-13H2,(H,21,24)/t16-,18?/m0/s1
InChIKeyDSWVIGNYGKIUBE-ATNAJCNCSA-N
MW431.47 g/mol
LogP1.18
Rot. Bonds6

About N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 175417956) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID175417956
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1NCCOC1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H21N3O6S/c24-19-18(28-11-10-21-19)14-6-8-15(9-7-14)23-13-16(29-20(23)25)12-22-30(26,27)17-4-2-1-3-5-17/h1-9,16,18,22H,10-13H2,(H,21,24)/t16-,18?/m0/s1
InChIKeyDSWVIGNYGKIUBE-ATNAJCNCSA-N
XLogP1.18
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 175417956) is N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is O=C1NCCOC1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3)OC2=O)cc1.
What is the InChIKey of N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is DSWVIGNYGKIUBE-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H21N3O6S/c24-19-18(28-11-10-21-19)14-6-8-15(9-7-14)23-13-16(29-20(23)25)12-22-30(26,27)17-4-2-1-3-5-17/h1-9,16,18,22H,10-13H2,(H,21,24)/t16-,18?/m0/s1.
What are the key properties of N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 431.47 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 175417956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).