N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

C16H15ClN4O4S — CID 7919325

IUPACN-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H15ClN4O4S/c1-26(23,24)13-6-7-14-15(8-13)21(20-19-14)25-10-16(22)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyYSKYEXCXLGAACV-UHFFFAOYSA-N
MW394.84 g/mol
LogP1.23
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide

N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (PubChem CID 7919325) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
PubChem CID7919325
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H15ClN4O4S/c1-26(23,24)13-6-7-14-15(8-13)21(20-19-14)25-10-16(22)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyYSKYEXCXLGAACV-UHFFFAOYSA-N
XLogP1.23
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701547
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-[(4-chlorophenyl)methyl]-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064515

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide (CID 7919325) is N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is CS(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
The InChIKey is YSKYEXCXLGAACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S/c1-26(23,24)13-6-7-14-15(8-13)21(20-19-14)25-10-16(22)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide?
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide has a molecular weight of 394.84 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 7919325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).