N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

C16H15ClN4O5S — CID 7701547

IUPACN-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C16H15ClN4O5S/c1-25-15-6-3-10(17)7-13(15)18-16(22)9-26-21-14-8-11(27(2,23)24)4-5-12(14)19-20-21/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyMYJFOSOIPBZNJU-UHFFFAOYSA-N
MW410.84 g/mol
LogP1.56
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (PubChem CID 7701547) has the molecular formula C16H15ClN4O5S and a molecular weight of 410.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
PubChem CID7701547
Molecular FormulaC16H15ClN4O5S
Molecular Weight410.84 g/mol
Exact Mass410.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C16H15ClN4O5S/c1-25-15-6-3-10(17)7-13(15)18-16(22)9-26-21-14-8-11(27(2,23)24)4-5-12(14)19-20-21/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyMYJFOSOIPBZNJU-UHFFFAOYSA-N
XLogP1.56
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7701541
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
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-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (CID 7701547) is N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is COc1ccc(Cl)cc1NC(=O)COn1nnc2ccc(S(C)(=O)=O)cc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The InChIKey is MYJFOSOIPBZNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O5S/c1-25-15-6-3-10(17)7-13(15)18-16(22)9-26-21-14-8-11(27(2,23)24)4-5-12(14)19-20-21/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide has a molecular weight of 410.84 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 7701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).