N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide

C15H10N2O6S — CID 14931408

IUPACN-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
SMILESO=c1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)coc2ccccc12
InChIInChI=1S/C15H10N2O6S/c18-15-12-3-1-2-4-13(12)23-9-14(15)24(21,22)16-10-5-7-11(8-6-10)17(19)20/h1-9,16H
InChIKeyJYOHLXHESBRCKR-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.50
Rot. Bonds4

About N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide

N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide (PubChem CID 14931408) has the molecular formula C15H10N2O6S and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
PubChem CID14931408
Molecular FormulaC15H10N2O6S
Molecular Weight346.32 g/mol
Exact Mass346.03
IUPAC NameN-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
SMILESO=c1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)coc2ccccc12
InChIInChI=1S/C15H10N2O6S/c18-15-12-3-1-2-4-13(12)23-9-14(15)24(21,22)16-10-5-7-11(8-6-10)17(19)20/h1-9,16H
InChIKeyJYOHLXHESBRCKR-UHFFFAOYSA-N
XLogP2.50
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 16719927
methyl N-(4-oxochromen-3-yl)sulfonylcarbamate
CID 14931413
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
N-(4-nitrophenyl)pyrimidine-2-sulfonamide
CID 172600186
4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
CID 17380466
CID 143974471
CID 143974471
2-chloro-N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]benzenesulfonamide
CID 171475618
N-(4-nitrophenyl)-2-benzofuran-1-amine
CID 175690055
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide?
The IUPAC name of N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide (CID 14931408) is N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide?
The canonical SMILES for N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide is O=c1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)coc2ccccc12.
What is the InChIKey of N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide?
The InChIKey is JYOHLXHESBRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6S/c18-15-12-3-1-2-4-13(12)23-9-14(15)24(21,22)16-10-5-7-11(8-6-10)17(19)20/h1-9,16H.
What are the key properties of N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide?
N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide has a molecular weight of 346.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide is sourced from PubChem (CID 14931408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).