4-(4-bromophenyl)oxathiazinane 2,2-dioxide

C9H10BrNO3S — CID 91844925

IUPAC4-(4-bromophenyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccc(Br)cc2)CCO1
InChIInChI=1S/C9H10BrNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2
InChIKeyCSJWTRCDJSZEFS-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.74
Rot. Bonds1

About 4-(4-bromophenyl)oxathiazinane 2,2-dioxide

4-(4-bromophenyl)oxathiazinane 2,2-dioxide (PubChem CID 91844925) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-(4-bromophenyl)oxathiazinane 2,2-dioxide
PubChem CID91844925
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name4-(4-bromophenyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(c2ccc(Br)cc2)CCO1
InChIInChI=1S/C9H10BrNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2
InChIKeyCSJWTRCDJSZEFS-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)oxathiazinane 2,2-dioxide?
The IUPAC name of 4-(4-bromophenyl)oxathiazinane 2,2-dioxide (CID 91844925) is 4-(4-bromophenyl)oxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-(4-bromophenyl)oxathiazinane 2,2-dioxide?
The canonical SMILES for 4-(4-bromophenyl)oxathiazinane 2,2-dioxide is O=S1(=O)NC(c2ccc(Br)cc2)CCO1.
What is the InChIKey of 4-(4-bromophenyl)oxathiazinane 2,2-dioxide?
The InChIKey is CSJWTRCDJSZEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c10-8-3-1-7(2-4-8)9-5-6-14-15(12,13)11-9/h1-4,9,11H,5-6H2.
What are the key properties of 4-(4-bromophenyl)oxathiazinane 2,2-dioxide?
4-(4-bromophenyl)oxathiazinane 2,2-dioxide has a molecular weight of 292.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)oxathiazinane 2,2-dioxide is sourced from PubChem (CID 91844925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).