[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H19BrN2O4S — CID 2768788

IUPAC[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-7-1-2-14(18)15(19)17-8-10-22-11-9-17/h3-6,14H,1-2,7-11H2
InChIKeyVETDBULQDPLKIV-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.46
Rot. Bonds3

About [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 2768788) has the molecular formula C15H19BrN2O4S and a molecular weight of 403.30 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID2768788
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.30 g/mol
Exact Mass402.02
IUPAC Name[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-7-1-2-14(18)15(19)17-8-10-22-11-9-17/h3-6,14H,1-2,7-11H2
InChIKeyVETDBULQDPLKIV-UHFFFAOYSA-N
XLogP1.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 2768788) is [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VETDBULQDPLKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-7-1-2-14(18)15(19)17-8-10-22-11-9-17/h3-6,14H,1-2,7-11H2.
What are the key properties of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 403.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2768788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).