N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

C15H12F2N4O4S — CID 7701498

IUPACN-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C15H12F2N4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,22)
InChIKeyOJYSXXWZUFEGIT-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.18
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (PubChem CID 7701498) has the molecular formula C15H12F2N4O4S and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
PubChem CID7701498
Molecular FormulaC15H12F2N4O4S
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC NameN-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C15H12F2N4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,22)
InChIKeyOJYSXXWZUFEGIT-UHFFFAOYSA-N
XLogP1.18
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7701541
N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701547
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
CID 7701578
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (CID 7701498) is N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is CS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The InChIKey is OJYSXXWZUFEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide has a molecular weight of 382.35 g/mol, XLogP of 1.18, 5 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-methylsulfonylbenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 7701498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).