2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide

C14H13Cl2N3O4S — CID 992275

IUPAC2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1OCC(N)=O
InChIInChI=1S/C14H13Cl2N3O4S/c1-8-4-10(16)12(5-11(8)23-7-13(17)20)24(21,22)19-14-3-2-9(15)6-18-14/h2-6H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNJCDTZJVPOWPDJ-UHFFFAOYSA-N
MW390.25 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide

2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide (PubChem CID 992275) has the molecular formula C14H13Cl2N3O4S and a molecular weight of 390.25 g/mol. Its IUPAC name is 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide
PubChem CID992275
Molecular FormulaC14H13Cl2N3O4S
Molecular Weight390.25 g/mol
Exact Mass389.00
IUPAC Name2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1OCC(N)=O
InChIInChI=1S/C14H13Cl2N3O4S/c1-8-4-10(16)12(5-11(8)23-7-13(17)20)24(21,22)19-14-3-2-9(15)6-18-14/h2-6H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNJCDTZJVPOWPDJ-UHFFFAOYSA-N
XLogP2.36
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide (CID 992275) is 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide?
The InChIKey is NJCDTZJVPOWPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S/c1-8-4-10(16)12(5-11(8)23-7-13(17)20)24(21,22)19-14-3-2-9(15)6-18-14/h2-6H,7H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide?
2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide has a molecular weight of 390.25 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 992275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).