N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide

C15H10FNO4S — CID 6458636

IUPACN-(2-fluorophenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccccc3F)ccc2o1
InChIInChI=1S/C15H10FNO4S/c16-12-3-1-2-4-13(12)17-22(19,20)11-6-7-14-10(9-11)5-8-15(18)21-14/h1-9,17H
InChIKeyCNJSNXUMQUCQKP-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.73
Rot. Bonds3

About N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide

N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide (PubChem CID 6458636) has the molecular formula C15H10FNO4S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-oxochromene-6-sulfonamide
PubChem CID6458636
Molecular FormulaC15H10FNO4S
Molecular Weight319.31 g/mol
Exact Mass319.03
IUPAC NameN-(2-fluorophenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccccc3F)ccc2o1
InChIInChI=1S/C15H10FNO4S/c16-12-3-1-2-4-13(12)17-22(19,20)11-6-7-14-10(9-11)5-8-15(18)21-14/h1-9,17H
InChIKeyCNJSNXUMQUCQKP-UHFFFAOYSA-N
XLogP2.73
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.73
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 N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide (CID 6458636) is N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3ccccc3F)ccc2o1.
What is the InChIKey of N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is CNJSNXUMQUCQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4S/c16-12-3-1-2-4-13(12)17-22(19,20)11-6-7-14-10(9-11)5-8-15(18)21-14/h1-9,17H.
What are the key properties of N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide?
N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 6458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).