4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide

C54H62Br4N2O8S2Si2 — CID 139185391

IUPAC4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccc(Br)cc1)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@H](c1ccc(Br)cc1)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/2C27H31Br2NO4SSi/c2*1-27(2,3)36(4,5)34-26(20-11-13-21(28)14-12-20)24(25(31)19-9-7-6-8-10-19)30-35(32,33)23-17-15-22(29)16-18-23/h2*6-18,24,26,30H,1-5H3/t2*24-,26-/m10/s1
InChIKeyQPCRFOVJCGMSAO-LBGBCCLOSA-N
MW1307.02 g/mol
LogP15.01
Rot. Bonds18

About 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide

4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 139185391) has the molecular formula C54H62Br4N2O8S2Si2 and a molecular weight of 1307.02 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID139185391
Molecular FormulaC54H62Br4N2O8S2Si2
Molecular Weight1307.02 g/mol
Exact Mass1302.02
IUPAC Name4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccc(Br)cc1)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@H](c1ccc(Br)cc1)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/2C27H31Br2NO4SSi/c2*1-27(2,3)36(4,5)34-26(20-11-13-21(28)14-12-20)24(25(31)19-9-7-6-8-10-19)30-35(32,33)23-17-15-22(29)16-18-23/h2*6-18,24,26,30H,1-5H3/t2*24-,26-/m10/s1
InChIKeyQPCRFOVJCGMSAO-LBGBCCLOSA-N
XLogP15.01
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001307.02
LogP ≤ 515.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

tert-butyl (2S,3S)-2-benzamido-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 11590604
tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 54389295
N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
CID 139253351
tert-butyl 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 70212133
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
N-[(1R,2S)-1-bromo-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102280791
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
[3-(4-bromophenyl)-2-(methylamino)-3-oxo-1-phenylpropyl] acetate
CID 3359877
3-(3-bromophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630955
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide (CID 139185391) is 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide is CC(C)(C)[Si](C)(C)O[C@@H](c1ccc(Br)cc1)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@H](c1ccc(Br)cc1)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccccc1.
What is the InChIKey of 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is QPCRFOVJCGMSAO-LBGBCCLOSA-N. The full InChI is InChI=1S/2C27H31Br2NO4SSi/c2*1-27(2,3)36(4,5)34-26(20-11-13-21(28)14-12-20)24(25(31)19-9-7-6-8-10-19)30-35(32,33)23-17-15-22(29)16-18-23/h2*6-18,24,26,30H,1-5H3/t2*24-,26-/m10/s1.
What are the key properties of 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 1307.02 g/mol, XLogP of 15.01, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2S)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide;4-bromo-N-[(1S,2R)-1-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 139185391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).