1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

C10H12BrN3O4S — CID 168718496

IUPAC1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C10H12BrN3O4S/c11-7-1-6(5-15)10(13-3-7)14-4-8(2-9(14)16)19(12,17)18/h1,3,8,15H,2,4-5H2,(H2,12,17,18)
InChIKeyKGBUGMWMTMFDBO-UHFFFAOYSA-N
MW350.19 g/mol
LogP-0.27
Rot. Bonds3

About 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide

1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718496) has the molecular formula C10H12BrN3O4S and a molecular weight of 350.19 g/mol. Its IUPAC name is 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718496
Molecular FormulaC10H12BrN3O4S
Molecular Weight350.19 g/mol
Exact Mass348.97
IUPAC Name1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C10H12BrN3O4S/c11-7-1-6(5-15)10(13-3-7)14-4-8(2-9(14)16)19(12,17)18/h1,3,8,15H,2,4-5H2,(H2,12,17,18)
InChIKeyKGBUGMWMTMFDBO-UHFFFAOYSA-N
XLogP-0.27
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719105
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714652

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718496) is 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncc(Br)cc2CO)C1.
What is the InChIKey of 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is KGBUGMWMTMFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O4S/c11-7-1-6(5-15)10(13-3-7)14-4-8(2-9(14)16)19(12,17)18/h1,3,8,15H,2,4-5H2,(H2,12,17,18).
What are the key properties of 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide?
1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 350.19 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).