N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide

C19H19BrN2O5S — CID 46188536

IUPACN-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Br)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19BrN2O5S/c1-13-7-9-15(10-8-13)28(25,26)21-11-16(20)18(23)22-17(12-27-19(22)24)14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyNNONLWXHNAJXSY-IRXDYDNUSA-N
MW467.34 g/mol
LogP2.76
Rot. Bonds6

About N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide

N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide (PubChem CID 46188536) has the molecular formula C19H19BrN2O5S and a molecular weight of 467.34 g/mol. Its IUPAC name is N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide
PubChem CID46188536
Molecular FormulaC19H19BrN2O5S
Molecular Weight467.34 g/mol
Exact Mass466.02
IUPAC NameN-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](Br)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19BrN2O5S/c1-13-7-9-15(10-8-13)28(25,26)21-11-16(20)18(23)22-17(12-27-19(22)24)14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyNNONLWXHNAJXSY-IRXDYDNUSA-N
XLogP2.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-chloro-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-phenylphenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 102213317
N-[(1S,2R)-1-chloro-1-(2-chlorophenyl)-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propan-2-yl]-4-methylbenzenesulfonamide
CID 101435979
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128
(4S)-3-[(2S,3S)-2-bromo-3-hydroxy-3-(4-phenylphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063290
3-[2-[(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 21035795
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-[(2R,3S)-2-bromo-3-(4-bromophenyl)-4-cyclopropylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 69371552
(4R)-3-[(2S,3R)-2-bromo-3-(4-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063274
(4S)-3-[(2R,3S)-2-bromo-3-(4-tert-butylphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15655656
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide (CID 46188536) is N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](Br)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide?
The InChIKey is NNONLWXHNAJXSY-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H19BrN2O5S/c1-13-7-9-15(10-8-13)28(25,26)21-11-16(20)18(23)22-17(12-27-19(22)24)14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide?
N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide has a molecular weight of 467.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-bromo-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46188536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).