N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C22H22FNO4S — CID 141361157

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO4S/c1-27-19-11-8-17(9-12-19)15-24(29(25,26)20-6-4-3-5-7-20)16-18-10-13-22(28-2)21(23)14-18/h3-14H,15-16H2,1-2H3
InChIKeyDZYQPDXTKWIOGC-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.23
Rot. Bonds8

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 141361157) has the molecular formula C22H22FNO4S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID141361157
Molecular FormulaC22H22FNO4S
Molecular Weight415.49 g/mol
Exact Mass415.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22FNO4S/c1-27-19-11-8-17(9-12-19)15-24(29(25,26)20-6-4-3-5-7-20)16-18-10-13-22(28-2)21(23)14-18/h3-14H,15-16H2,1-2H3
InChIKeyDZYQPDXTKWIOGC-UHFFFAOYSA-N
XLogP4.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
4-[[benzenesulfonyl-[(2-fluorophenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid;4-[benzyl-[(4-hydroxyphenyl)methyl]sulfamoyl]benzoic acid
CID 157413254
4-[[benzenesulfonyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 90697398
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
4-[(3,4-difluorophenyl)methyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 25207453
N-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1176690
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 141361157) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2ccc(OC)c(F)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is DZYQPDXTKWIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4S/c1-27-19-11-8-17(9-12-19)15-24(29(25,26)20-6-4-3-5-7-20)16-18-10-13-22(28-2)21(23)14-18/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 141361157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).