bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate

C23H26Br2N2O9S2 — CID 67214142

IUPACbis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate
SMILESO=C(OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1)OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C23H26Br2N2O9S2/c24-17-5-1-3-7-19(17)37(29,30)26-21-13-15(9-11-33-21)35-23(28)36-16-10-12-34-22(14-16)27-38(31,32)20-8-4-2-6-18(20)25/h1-8,15-16,21-22,26-27H,9-14H2
InChIKeyRANWUDOMCSZBPU-UHFFFAOYSA-N
MW698.41 g/mol
LogP3.63
Rot. Bonds8

About bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate

bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate (PubChem CID 67214142) has the molecular formula C23H26Br2N2O9S2 and a molecular weight of 698.41 g/mol. Its IUPAC name is bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate.

Molecular Properties

Compound Namebis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate
PubChem CID67214142
Molecular FormulaC23H26Br2N2O9S2
Molecular Weight698.41 g/mol
Exact Mass695.94
IUPAC Namebis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate
SMILESO=C(OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1)OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C23H26Br2N2O9S2/c24-17-5-1-3-7-19(17)37(29,30)26-21-13-15(9-11-33-21)35-23(28)36-16-10-12-34-22(14-16)27-38(31,32)20-8-4-2-6-18(20)25/h1-8,15-16,21-22,26-27H,9-14H2
InChIKeyRANWUDOMCSZBPU-UHFFFAOYSA-N
XLogP3.63
TPSA146.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500698.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602182
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
CID 103887621
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
cyclopropyl N-(2-bromophenyl)sulfonyl-N-tert-butylcarbamate
CID 90776107
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370

Frequently Asked Questions

What is the IUPAC name of bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate?
The IUPAC name of bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate (CID 67214142) is bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate.
What is the SMILES notation for bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate?
The canonical SMILES for bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate is O=C(OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1)OC1CCOC(NS(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate?
The InChIKey is RANWUDOMCSZBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Br2N2O9S2/c24-17-5-1-3-7-19(17)37(29,30)26-21-13-15(9-11-33-21)35-23(28)36-16-10-12-34-22(14-16)27-38(31,32)20-8-4-2-6-18(20)25/h1-8,15-16,21-22,26-27H,9-14H2.
What are the key properties of bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate?
bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate has a molecular weight of 698.41 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate is sourced from PubChem (CID 67214142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).