3-(4-bromophenyl)sulfonyl-1,3-oxazolidine

C9H10BrNO3S — CID 110740042

IUPAC3-(4-bromophenyl)sulfonyl-1,3-oxazolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCOC1
InChIInChI=1S/C9H10BrNO3S/c10-8-1-3-9(4-2-8)15(12,13)11-5-6-14-7-11/h1-4H,5-7H2
InChIKeySYPCKRRRHZGOGE-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.43
Rot. Bonds2

About 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine

3-(4-bromophenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740042) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740042
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name3-(4-bromophenyl)sulfonyl-1,3-oxazolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCOC1
InChIInChI=1S/C9H10BrNO3S/c10-8-1-3-9(4-2-8)15(12,13)11-5-6-14-7-11/h1-4H,5-7H2
InChIKeySYPCKRRRHZGOGE-UHFFFAOYSA-N
XLogP1.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine (CID 110740042) is 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine is O=S(=O)(c1ccc(Br)cc1)N1CCOC1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is SYPCKRRRHZGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c10-8-1-3-9(4-2-8)15(12,13)11-5-6-14-7-11/h1-4H,5-7H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine?
3-(4-bromophenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 292.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).