6-bromo-2-oxochromene-3-sulfonamide

C9H6BrNO4S — CID 164609327

IUPAC6-bromo-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C9H6BrNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14)
InChIKeyJUGMWOUWMGUQQN-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.20
Rot. Bonds1

About 6-bromo-2-oxochromene-3-sulfonamide

6-bromo-2-oxochromene-3-sulfonamide (PubChem CID 164609327) has the molecular formula C9H6BrNO4S and a molecular weight of 304.12 g/mol. Its IUPAC name is 6-bromo-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-oxochromene-3-sulfonamide
PubChem CID164609327
Molecular FormulaC9H6BrNO4S
Molecular Weight304.12 g/mol
Exact Mass302.92
IUPAC Name6-bromo-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C9H6BrNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14)
InChIKeyJUGMWOUWMGUQQN-UHFFFAOYSA-N
XLogP1.20
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxochromene-3-sulfonamide?
The IUPAC name of 6-bromo-2-oxochromene-3-sulfonamide (CID 164609327) is 6-bromo-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 6-bromo-2-oxochromene-3-sulfonamide?
The canonical SMILES for 6-bromo-2-oxochromene-3-sulfonamide is NS(=O)(=O)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxochromene-3-sulfonamide?
The InChIKey is JUGMWOUWMGUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14).
What are the key properties of 6-bromo-2-oxochromene-3-sulfonamide?
6-bromo-2-oxochromene-3-sulfonamide has a molecular weight of 304.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 164609327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).