1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

C15H14BrN3O4S — CID 168718853

IUPAC1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Oc3cccc(Br)c3)nc2)C1
InChIInChI=1S/C15H14BrN3O4S/c16-10-2-1-3-12(6-10)23-14-5-4-11(8-18-14)19-9-13(7-15(19)20)24(17,21)22/h1-6,8,13H,7,9H2,(H2,17,21,22)
InChIKeyIMKQYMRJQHQVPN-UHFFFAOYSA-N
MW412.27 g/mol
LogP2.03
Rot. Bonds4

About 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718853) has the molecular formula C15H14BrN3O4S and a molecular weight of 412.27 g/mol. Its IUPAC name is 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718853
Molecular FormulaC15H14BrN3O4S
Molecular Weight412.27 g/mol
Exact Mass410.99
IUPAC Name1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Oc3cccc(Br)c3)nc2)C1
InChIInChI=1S/C15H14BrN3O4S/c16-10-2-1-3-12(6-10)23-14-5-4-11(8-18-14)19-9-13(7-15(19)20)24(17,21)22/h1-6,8,13H,7,9H2,(H2,17,21,22)
InChIKeyIMKQYMRJQHQVPN-UHFFFAOYSA-N
XLogP2.03
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168683185
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718853) is 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(Oc3cccc(Br)c3)nc2)C1.
What is the InChIKey of 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is IMKQYMRJQHQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4S/c16-10-2-1-3-12(6-10)23-14-5-4-11(8-18-14)19-9-13(7-15(19)20)24(17,21)22/h1-6,8,13H,7,9H2,(H2,17,21,22).
What are the key properties of 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 412.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromophenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).