5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide

C10H10BrN3O3S — CID 115119241

IUPAC5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(Br)cc1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H10BrN3O3S/c11-8-3-9(10(15)13-6-8)18(16,17)14-5-7-1-2-12-4-7/h1-4,6,12,14H,5H2,(H,13,15)
InChIKeyHWYRPIQSZBQUIZ-UHFFFAOYSA-N
MW332.18 g/mol
LogP0.94
Rot. Bonds4

About 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide

5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide (PubChem CID 115119241) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide
PubChem CID115119241
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(Br)cc1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H10BrN3O3S/c11-8-3-9(10(15)13-6-8)18(16,17)14-5-7-1-2-12-4-7/h1-4,6,12,14H,5H2,(H,13,15)
InChIKeyHWYRPIQSZBQUIZ-UHFFFAOYSA-N
XLogP0.94
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide (CID 115119241) is 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide is O=c1[nH]cc(Br)cc1S(=O)(=O)NCc1cc[nH]c1.
What is the InChIKey of 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is HWYRPIQSZBQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c11-8-3-9(10(15)13-6-8)18(16,17)14-5-7-1-2-12-4-7/h1-4,6,12,14H,5H2,(H,13,15).
What are the key properties of 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide?
5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 332.18 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 115119241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).