N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C21H19F2NO4S — CID 46022510

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C21H19F2NO4S/c1-27-19-12-7-15(13-20(19)28-2)14-24(17-10-8-16(22)9-11-17)29(25,26)21-6-4-3-5-18(21)23/h3-13H,14H2,1-2H3
InChIKeyASUQOVGNFVRZQT-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.38
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 46022510) has the molecular formula C21H19F2NO4S and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID46022510
Molecular FormulaC21H19F2NO4S
Molecular Weight419.45 g/mol
Exact Mass419.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCOc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C21H19F2NO4S/c1-27-19-12-7-15(13-20(19)28-2)14-24(17-10-8-16(22)9-11-17)29(25,26)21-6-4-3-5-18(21)23/h3-13H,14H2,1-2H3
InChIKeyASUQOVGNFVRZQT-UHFFFAOYSA-N
XLogP4.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 99956197
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-(4-ethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153359
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 46022510) is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide is COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is ASUQOVGNFVRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4S/c1-27-19-12-7-15(13-20(19)28-2)14-24(17-10-8-16(22)9-11-17)29(25,26)21-6-4-3-5-18(21)23/h3-13H,14H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 419.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 46022510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).