N,N-difluoro-2-oxochromene-3-sulfonamide

C9H5F2NO4S — CID 175980841

IUPACN,N-difluoro-2-oxochromene-3-sulfonamide
SMILESO=c1oc2ccccc2cc1S(=O)(=O)N(F)F
InChIInChI=1S/C9H5F2NO4S/c10-12(11)17(14,15)8-5-6-3-1-2-4-7(6)16-9(8)13/h1-5H
InChIKeyYWWMLJSXTZXHPT-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.55
Rot. Bonds2

About N,N-difluoro-2-oxochromene-3-sulfonamide

N,N-difluoro-2-oxochromene-3-sulfonamide (PubChem CID 175980841) has the molecular formula C9H5F2NO4S and a molecular weight of 261.20 g/mol. Its IUPAC name is N,N-difluoro-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound NameN,N-difluoro-2-oxochromene-3-sulfonamide
PubChem CID175980841
Molecular FormulaC9H5F2NO4S
Molecular Weight261.20 g/mol
Exact Mass260.99
IUPAC NameN,N-difluoro-2-oxochromene-3-sulfonamide
SMILESO=c1oc2ccccc2cc1S(=O)(=O)N(F)F
InChIInChI=1S/C9H5F2NO4S/c10-12(11)17(14,15)8-5-6-3-1-2-4-7(6)16-9(8)13/h1-5H
InChIKeyYWWMLJSXTZXHPT-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-difluoro-2-oxochromene-3-sulfonamide?
The IUPAC name of N,N-difluoro-2-oxochromene-3-sulfonamide (CID 175980841) is N,N-difluoro-2-oxochromene-3-sulfonamide.
What is the SMILES notation for N,N-difluoro-2-oxochromene-3-sulfonamide?
The canonical SMILES for N,N-difluoro-2-oxochromene-3-sulfonamide is O=c1oc2ccccc2cc1S(=O)(=O)N(F)F.
What is the InChIKey of N,N-difluoro-2-oxochromene-3-sulfonamide?
The InChIKey is YWWMLJSXTZXHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO4S/c10-12(11)17(14,15)8-5-6-3-1-2-4-7(6)16-9(8)13/h1-5H.
What are the key properties of N,N-difluoro-2-oxochromene-3-sulfonamide?
N,N-difluoro-2-oxochromene-3-sulfonamide has a molecular weight of 261.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluoro-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 175980841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).