2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone

C12H14BrNO4S — CID 1486408

IUPAC2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2
InChIKeyQYECBTNJWQJDDZ-UHFFFAOYSA-N
MW348.22 g/mol
LogP1.08
Rot. Bonds3

About 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone

2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone (PubChem CID 1486408) has the molecular formula C12H14BrNO4S and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone
PubChem CID1486408
Molecular FormulaC12H14BrNO4S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2
InChIKeyQYECBTNJWQJDDZ-UHFFFAOYSA-N
XLogP1.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone (CID 1486408) is 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone is O=C(CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone?
The InChIKey is QYECBTNJWQJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone?
2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone has a molecular weight of 348.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1486408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).