2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide

C15H16ClN3O4S — CID 1288545

IUPAC2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O
InChIInChI=1S/C15H16ClN3O4S/c1-10-6-12(16)14(7-13(10)23-9-15(17)20)24(21,22)19-8-11-2-4-18-5-3-11/h2-7,19H,8-9H2,1H3,(H2,17,20)
InChIKeyYLGGQKLKOXZXDH-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide

2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide (PubChem CID 1288545) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide
PubChem CID1288545
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O
InChIInChI=1S/C15H16ClN3O4S/c1-10-6-12(16)14(7-13(10)23-9-15(17)20)24(21,22)19-8-11-2-4-18-5-3-11/h2-7,19H,8-9H2,1H3,(H2,17,20)
InChIKeyYLGGQKLKOXZXDH-UHFFFAOYSA-N
XLogP1.39
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide (CID 1288545) is 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide?
The InChIKey is YLGGQKLKOXZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-10-6-12(16)14(7-13(10)23-9-15(17)20)24(21,22)19-8-11-2-4-18-5-3-11/h2-7,19H,8-9H2,1H3,(H2,17,20).
What are the key properties of 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide?
2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide has a molecular weight of 369.83 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-5-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1288545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).