N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide

C16H15F2N5O4S — CID 7696381

IUPACN-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C16H15F2N5O4S/c1-22(2)28(25,26)11-4-6-14-15(8-11)23(21-20-14)27-9-16(24)19-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,24)
InChIKeyZZNCTRLCTKRKOJ-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.03
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide

N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 7696381) has the molecular formula C16H15F2N5O4S and a molecular weight of 411.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
PubChem CID7696381
Molecular FormulaC16H15F2N5O4S
Molecular Weight411.39 g/mol
Exact Mass411.08
IUPAC NameN-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C16H15F2N5O4S/c1-22(2)28(25,26)11-4-6-14-15(8-11)23(21-20-14)27-9-16(24)19-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,24)
InChIKeyZZNCTRLCTKRKOJ-UHFFFAOYSA-N
XLogP1.03
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 3403053
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352
3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 4805334
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide (CID 7696381) is N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide is CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is ZZNCTRLCTKRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O4S/c1-22(2)28(25,26)11-4-6-14-15(8-11)23(21-20-14)27-9-16(24)19-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 411.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7696381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).