4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide

C22H16FNO5S — CID 16801695

IUPAC4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C22H16FNO5S/c1-28-20-5-3-2-4-17(20)22-13-19(25)18-12-15(8-11-21(18)29-22)24-30(26,27)16-9-6-14(23)7-10-16/h2-13,24H,1H3
InChIKeyYDFWJAFXQBEPFL-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.41
Rot. Bonds5

About 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide

4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide (PubChem CID 16801695) has the molecular formula C22H16FNO5S and a molecular weight of 425.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide
PubChem CID16801695
Molecular FormulaC22H16FNO5S
Molecular Weight425.44 g/mol
Exact Mass425.07
IUPAC Name4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C22H16FNO5S/c1-28-20-5-3-2-4-17(20)22-13-19(25)18-12-15(8-11-21(18)29-22)24-30(26,27)16-9-6-14(23)7-10-16/h2-13,24H,1H3
InChIKeyYDFWJAFXQBEPFL-UHFFFAOYSA-N
XLogP4.41
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide 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

4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
CID 18568820
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]propanamide
CID 42569824
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
4-fluoro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 697338
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide (CID 16801695) is 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide is COc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
The InChIKey is YDFWJAFXQBEPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5S/c1-28-20-5-3-2-4-17(20)22-13-19(25)18-12-15(8-11-21(18)29-22)24-30(26,27)16-9-6-14(23)7-10-16/h2-13,24H,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide?
4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide has a molecular weight of 425.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzenesulfonamide is sourced from PubChem (CID 16801695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).