4-(3-bromophenyl)sulfonylmorpholine

C10H12BrNO3S — CID 3696002

IUPAC4-(3-bromophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C10H12BrNO3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2
InChIKeyBMAMBBTZMVECJZ-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.47
Rot. Bonds2

About 4-(3-bromophenyl)sulfonylmorpholine

4-(3-bromophenyl)sulfonylmorpholine (PubChem CID 3696002) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfonylmorpholine
PubChem CID3696002
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name4-(3-bromophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C10H12BrNO3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2
InChIKeyBMAMBBTZMVECJZ-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-bromophenyl)sulfonylmorpholine (CID 3696002) is 4-(3-bromophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-bromophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-bromophenyl)sulfonylmorpholine is O=S(=O)(c1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)sulfonylmorpholine?
The InChIKey is BMAMBBTZMVECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2.
What are the key properties of 4-(3-bromophenyl)sulfonylmorpholine?
4-(3-bromophenyl)sulfonylmorpholine has a molecular weight of 306.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfonylmorpholine is sourced from PubChem (CID 3696002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).