N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

C15H12ClFN4O4S — CID 7701538

IUPACN-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C15H12ClFN4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyKRDQBRGCUMXPTH-UHFFFAOYSA-N
MW398.80 g/mol
LogP1.69
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (PubChem CID 7701538) has the molecular formula C15H12ClFN4O4S and a molecular weight of 398.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
PubChem CID7701538
Molecular FormulaC15H12ClFN4O4S
Molecular Weight398.80 g/mol
Exact Mass398.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C15H12ClFN4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyKRDQBRGCUMXPTH-UHFFFAOYSA-N
XLogP1.69
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701547
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7701541
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
CID 7701578
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (CID 7701538) is N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is CS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(Cl)cc3F)c2c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The InChIKey is KRDQBRGCUMXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O4S/c1-26(23,24)10-3-5-13-14(7-10)21(20-19-13)25-8-15(22)18-12-4-2-9(16)6-11(12)17/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide has a molecular weight of 398.80 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 7701538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).