N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide

C15H9FN2O6S — CID 31397757

IUPACN-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2o1
InChIInChI=1S/C15H9FN2O6S/c16-12-4-2-10(8-13(12)18(20)21)17-25(22,23)11-3-5-14-9(7-11)1-6-15(19)24-14/h1-8,17H
InChIKeyCFPBSQPHPFVLSU-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.64
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide

N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide (PubChem CID 31397757) has the molecular formula C15H9FN2O6S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide
PubChem CID31397757
Molecular FormulaC15H9FN2O6S
Molecular Weight364.31 g/mol
Exact Mass364.02
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2o1
InChIInChI=1S/C15H9FN2O6S/c16-12-4-2-10(8-13(12)18(20)21)17-25(22,23)11-3-5-14-9(7-11)1-6-15(19)24-14/h1-8,17H
InChIKeyCFPBSQPHPFVLSU-UHFFFAOYSA-N
XLogP2.64
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide (CID 31397757) is N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2o1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is CFPBSQPHPFVLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O6S/c16-12-4-2-10(8-13(12)18(20)21)17-25(22,23)11-3-5-14-9(7-11)1-6-15(19)24-14/h1-8,17H.
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide?
N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 364.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 31397757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).