N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide

C23H17F2NO6S — CID 30782491

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2OC(F)F)cc1
InChIInChI=1S/C23H17F2NO6S/c1-30-17-6-2-14(3-7-17)19-13-16(5-9-21(19)32-23(24)25)26-33(28,29)18-8-10-20-15(12-18)4-11-22(27)31-20/h2-13,23,26H,1H3
InChIKeyYPTTUQWUEGVULB-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.87
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide (PubChem CID 30782491) has the molecular formula C23H17F2NO6S and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide
PubChem CID30782491
Molecular FormulaC23H17F2NO6S
Molecular Weight473.45 g/mol
Exact Mass473.07
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2OC(F)F)cc1
InChIInChI=1S/C23H17F2NO6S/c1-30-17-6-2-14(3-7-17)19-13-16(5-9-21(19)32-23(24)25)26-33(28,29)18-8-10-20-15(12-18)4-11-22(27)31-20/h2-13,23,26H,1H3
InChIKeyYPTTUQWUEGVULB-UHFFFAOYSA-N
XLogP4.87
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-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

2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 166397290
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
CID 156580163
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55369373
4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519490
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide (CID 30782491) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide is COc1ccc(-c2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is YPTTUQWUEGVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO6S/c1-30-17-6-2-14(3-7-17)19-13-16(5-9-21(19)32-23(24)25)26-33(28,29)18-8-10-20-15(12-18)4-11-22(27)31-20/h2-13,23,26H,1H3.
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 473.45 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).