(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one

C18H18BrNO4S — CID 155415031

IUPAC(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](N1C(=O)OC[C@H]1Cc1ccccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18BrNO4S/c1-13(25(22,23)16-8-3-2-4-9-16)20-15(12-24-18(20)21)11-14-7-5-6-10-17(14)19/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyBABNFVOKTQGRKG-DZGCQCFKSA-N
MW424.32 g/mol
LogP3.63
Rot. Bonds5

About (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one

(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 155415031) has the molecular formula C18H18BrNO4S and a molecular weight of 424.32 g/mol. Its IUPAC name is (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID155415031
Molecular FormulaC18H18BrNO4S
Molecular Weight424.32 g/mol
Exact Mass423.01
IUPAC Name(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](N1C(=O)OC[C@H]1Cc1ccccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18BrNO4S/c1-13(25(22,23)16-8-3-2-4-9-16)20-15(12-24-18(20)21)11-14-7-5-6-10-17(14)19/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyBABNFVOKTQGRKG-DZGCQCFKSA-N
XLogP3.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[1-(benzenesulfonyl)-2-hydroxyethyl]-4-[(2-bromo-5-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 24745551
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
4-[(2-bromophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one;(E)-but-2-enedioic acid
CID 67622714
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 102464759
2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one (CID 155415031) is (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one is C[C@@H](N1C(=O)OC[C@H]1Cc1ccccc1Br)S(=O)(=O)c1ccccc1.
What is the InChIKey of (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BABNFVOKTQGRKG-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H18BrNO4S/c1-13(25(22,23)16-8-3-2-4-9-16)20-15(12-24-18(20)21)11-14-7-5-6-10-17(14)19/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 424.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1S)-1-(benzenesulfonyl)ethyl]-4-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).