N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C24H21F2NO3S — CID 70694769

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2O1
InChIInChI=1S/C24H21F2NO3S/c1-24(2)14-13-18-15-17(3-12-23(18)30-24)16-27(21-8-4-19(25)5-9-21)31(28,29)22-10-6-20(26)7-11-22/h3-15H,16H2,1-2H3
InChIKeyKLVJIGUKADABIL-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.54
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 70694769) has the molecular formula C24H21F2NO3S and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID70694769
Molecular FormulaC24H21F2NO3S
Molecular Weight441.50 g/mol
Exact Mass441.12
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2O1
InChIInChI=1S/C24H21F2NO3S/c1-24(2)14-13-18-15-17(3-12-23(18)30-24)16-27(21-8-4-19(25)5-9-21)31(28,29)22-10-6-20(26)7-11-22/h3-15H,16H2,1-2H3
InChIKeyKLVJIGUKADABIL-UHFFFAOYSA-N
XLogP5.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 70694769) is N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is CC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2O1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is KLVJIGUKADABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO3S/c1-24(2)14-13-18-15-17(3-12-23(18)30-24)16-27(21-8-4-19(25)5-9-21)31(28,29)22-10-6-20(26)7-11-22/h3-15H,16H2,1-2H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 441.50 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 70694769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).