2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide

C15H16ClN3O4S — CID 992281

IUPAC2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O
InChIInChI=1S/C15H16ClN3O4S/c1-10-5-12(16)14(6-13(10)23-9-15(17)20)24(21,22)19-8-11-3-2-4-18-7-11/h2-7,19H,8-9H2,1H3,(H2,17,20)
InChIKeyGKZXNWKCMRUKAR-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide

2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide (PubChem CID 992281) 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-3-ylmethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide
PubChem CID992281
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O
InChIInChI=1S/C15H16ClN3O4S/c1-10-5-12(16)14(6-13(10)23-9-15(17)20)24(21,22)19-8-11-3-2-4-18-7-11/h2-7,19H,8-9H2,1H3,(H2,17,20)
InChIKeyGKZXNWKCMRUKAR-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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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 9667098
{4-Chloro-2-[(5-{[(2-hydroxyethyl)amino]sulfonyl}pyridin-3-yl)ethynyl]phenoxy}acetic acid
CID 56595049
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-pyridin-4-ylacetamide
CID 155542532
2-(4-chloro-2-methyl-5-{[(3-pyridinylmethyl)amino]sulfonyl}phenoxy)-N-cyclohexylacetamide
CID 2953534
2-(4-chloro-2-methyl-5-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}phenoxy)-N-cyclohexylacetamide
CID 2953827
2-[4-Chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 992269
2-[4-Chloro-2-methyl-5-(2-pyridinylsulfamoyl)phenoxy]acetamide
CID 992277
2-(4-Chloro-2-methyl-5-{[(4-pyridinylmethyl)amino]sulfonyl}phenoxy)acetamide
CID 1288545
2-(4-{[(4-chlorophenyl)amino]sulfonyl}phenoxy)-N-(3-pyridinylmethyl)acetamide
CID 2229701
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 2334814
2-(4-chloro-2-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3107691
2-(4-Chloro-5-{[(5-chloro-2-pyridinyl)amino]sulfonyl}-2-methylphenoxy)acetamide
CID 992275

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide (CID 992281) is 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide?
The InChIKey is GKZXNWKCMRUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-10-5-12(16)14(6-13(10)23-9-15(17)20)24(21,22)19-8-11-3-2-4-18-7-11/h2-7,19H,8-9H2,1H3,(H2,17,20).
What are the key properties of 2-[4-chloro-2-methyl-5-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetamide?
2-[4-chloro-2-methyl-5-(pyridin-3-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-3-ylmethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).