6-bromo-4-oxo-1H-quinoline-2-sulfonamide

C9H7BrN2O3S — CID 175212509

IUPAC6-bromo-4-oxo-1H-quinoline-2-sulfonamide
SMILESNS(=O)(=O)c1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H7BrN2O3S/c10-5-1-2-7-6(3-5)8(13)4-9(12-7)16(11,14)15/h1-4H,(H,12,13)(H2,11,14,15)
InChIKeyPQOQIZQITIKITC-UHFFFAOYSA-N
MW303.14 g/mol
LogP0.94
Rot. Bonds1

About 6-bromo-4-oxo-1H-quinoline-2-sulfonamide

6-bromo-4-oxo-1H-quinoline-2-sulfonamide (PubChem CID 175212509) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is 6-bromo-4-oxo-1H-quinoline-2-sulfonamide.

Molecular Properties

Compound Name6-bromo-4-oxo-1H-quinoline-2-sulfonamide
PubChem CID175212509
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name6-bromo-4-oxo-1H-quinoline-2-sulfonamide
SMILESNS(=O)(=O)c1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H7BrN2O3S/c10-5-1-2-7-6(3-5)8(13)4-9(12-7)16(11,14)15/h1-4H,(H,12,13)(H2,11,14,15)
InChIKeyPQOQIZQITIKITC-UHFFFAOYSA-N
XLogP0.94
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxo-1H-quinoline-2-sulfonamide?
The IUPAC name of 6-bromo-4-oxo-1H-quinoline-2-sulfonamide (CID 175212509) is 6-bromo-4-oxo-1H-quinoline-2-sulfonamide.
What is the SMILES notation for 6-bromo-4-oxo-1H-quinoline-2-sulfonamide?
The canonical SMILES for 6-bromo-4-oxo-1H-quinoline-2-sulfonamide is NS(=O)(=O)c1cc(=O)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-4-oxo-1H-quinoline-2-sulfonamide?
The InChIKey is PQOQIZQITIKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c10-5-1-2-7-6(3-5)8(13)4-9(12-7)16(11,14)15/h1-4H,(H,12,13)(H2,11,14,15).
What are the key properties of 6-bromo-4-oxo-1H-quinoline-2-sulfonamide?
6-bromo-4-oxo-1H-quinoline-2-sulfonamide has a molecular weight of 303.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxo-1H-quinoline-2-sulfonamide is sourced from PubChem (CID 175212509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).