5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one

C10H8BrClN2O5S — CID 136530706

IUPAC5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCCO3)c(Cl)c2o1
InChIInChI=1S/C10H8BrClN2O5S/c11-5-4-6-8(19-10(15)13-6)7(12)9(5)20(16,17)14-2-1-3-18-14/h4H,1-3H2,(H,13,15)
InChIKeyHMIJLAPVBNGKGP-UHFFFAOYSA-N
MW383.61 g/mol
LogP1.86
Rot. Bonds2

About 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one

5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 136530706) has the molecular formula C10H8BrClN2O5S and a molecular weight of 383.61 g/mol. Its IUPAC name is 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
PubChem CID136530706
Molecular FormulaC10H8BrClN2O5S
Molecular Weight383.61 g/mol
Exact Mass381.90
IUPAC Name5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCCO3)c(Cl)c2o1
InChIInChI=1S/C10H8BrClN2O5S/c11-5-4-6-8(19-10(15)13-6)7(12)9(5)20(16,17)14-2-1-3-18-14/h4H,1-3H2,(H,13,15)
InChIKeyHMIJLAPVBNGKGP-UHFFFAOYSA-N
XLogP1.86
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one (CID 136530706) is 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCCO3)c(Cl)c2o1.
What is the InChIKey of 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is HMIJLAPVBNGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O5S/c11-5-4-6-8(19-10(15)13-6)7(12)9(5)20(16,17)14-2-1-3-18-14/h4H,1-3H2,(H,13,15).
What are the key properties of 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 383.61 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-6-(1,2-oxazolidin-2-ylsulfonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 136530706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).