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

C14H14ClN3O4S — CID 992276

IUPAC2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cccnc2)cc1OCC(N)=O
InChIInChI=1S/C14H14ClN3O4S/c1-9-5-11(15)13(6-12(9)22-8-14(16)19)23(20,21)18-10-3-2-4-17-7-10/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeyZSGATRLJRSFOOW-UHFFFAOYSA-N
MW355.80 g/mol
LogP1.71
Rot. Bonds6

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

2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide (PubChem CID 992276) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide
PubChem CID992276
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cccnc2)cc1OCC(N)=O
InChIInChI=1S/C14H14ClN3O4S/c1-9-5-11(15)13(6-12(9)22-8-14(16)19)23(20,21)18-10-3-2-4-17-7-10/h2-7,18H,8H2,1H3,(H2,16,19)
InChIKeyZSGATRLJRSFOOW-UHFFFAOYSA-N
XLogP1.71
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)acetamide
CID 3146340
[4-Chloro-2-({5-[(methylsulfonyl)amino]pyridin-3-yl}ethynyl)phenoxy]acetic acid
CID 46865970
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137846
N-[2-(4-chlorophenoxy)pyridin-3-yl]-4-methylbenzenesulfonamide
CID 2728373
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
5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472631
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-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021075
2-(4-Chloro-2-methyl-5-{[(4-pyridinylmethyl)amino]sulfonyl}phenoxy)acetamide
CID 1288545
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-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide (CID 992276) is 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2cccnc2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZSGATRLJRSFOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-9-5-11(15)13(6-12(9)22-8-14(16)19)23(20,21)18-10-3-2-4-17-7-10/h2-7,18H,8H2,1H3,(H2,16,19).
What are the key properties of 2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide?
2-[4-chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 355.80 g/mol, XLogP of 1.71, 6 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-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 992276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).