4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide

C19H24F2N2O4S — CID 24541366

IUPAC4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C19H24F2N2O4S/c1-4-23(5-2)28(24,25)16-9-7-15(8-10-16)22-13-14-6-11-17(27-19(20)21)18(12-14)26-3/h6-12,19,22H,4-5,13H2,1-3H3
InChIKeyRNYJLHBQYOMBSO-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.94
Rot. Bonds10

About 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide

4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide (PubChem CID 24541366) has the molecular formula C19H24F2N2O4S and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide
PubChem CID24541366
Molecular FormulaC19H24F2N2O4S
Molecular Weight414.47 g/mol
Exact Mass414.14
IUPAC Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C19H24F2N2O4S/c1-4-23(5-2)28(24,25)16-9-7-15(8-10-16)22-13-14-6-11-17(27-19(20)21)18(12-14)26-3/h6-12,19,22H,4-5,13H2,1-3H3
InChIKeyRNYJLHBQYOMBSO-UHFFFAOYSA-N
XLogP3.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 9283136
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578966
4-bromo-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylbenzenesulfonamide
CID 30329611
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline
CID 24674203
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 55314759
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide (CID 24541366) is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is RNYJLHBQYOMBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4S/c1-4-23(5-2)28(24,25)16-9-7-15(8-10-16)22-13-14-6-11-17(27-19(20)21)18(12-14)26-3/h6-12,19,22H,4-5,13H2,1-3H3.
What are the key properties of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide?
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 414.47 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 24541366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).