2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide

C18H21ClN4O4S — CID 992269

IUPAC2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(N)=O
InChIInChI=1S/C18H21ClN4O4S/c1-13-10-14(19)16(11-15(13)27-12-17(20)24)28(25,26)23-8-6-22(7-9-23)18-4-2-3-5-21-18/h2-5,10-11H,6-9,12H2,1H3,(H2,20,24)
InChIKeyQRMKRAPBJOBMQV-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.42
Rot. Bonds6

About 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide

2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide (PubChem CID 992269) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
PubChem CID992269
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC Name2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(N)=O
InChIInChI=1S/C18H21ClN4O4S/c1-13-10-14(19)16(11-15(13)27-12-17(20)24)28(25,26)23-8-6-22(7-9-23)18-4-2-3-5-21-18/h2-5,10-11H,6-9,12H2,1H3,(H2,20,24)
InChIKeyQRMKRAPBJOBMQV-UHFFFAOYSA-N
XLogP1.42
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 9203843
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-Chloro-5-{[(5-chloro-2-pyridinyl)amino]sulfonyl}-2-methylphenoxy)acetamide
CID 992275
2-(4-Chloro-2-methyl-5-{[(3-pyridinylmethyl)amino]sulfonyl}phenoxy)acetamide
CID 992281
2-(4-Chloro-2-methyl-phenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1183055
2-(4-chlorophenoxy)-N-(2-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}ethyl)acetamide
CID 25285142
2-(4-chlorophenoxy)-N-(3-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)propyl)acetamide
CID 42438523
2-[4-chloro-2-(trifluoromethyl)phenoxy]-2-methyl-N-[8-(5-sulfamoylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
CID 57897694
2-[4-chloro-2-(trifluoromethyl)phenoxy]-N-[1-[5-(methanesulfonamido)-2-pyridinyl]-2-propylpiperidin-4-yl]-2-methylpropanamide
CID 59293186

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide (CID 992269) is 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The InChIKey is QRMKRAPBJOBMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4S/c1-13-10-14(19)16(11-15(13)27-12-17(20)24)28(25,26)23-8-6-22(7-9-23)18-4-2-3-5-21-18/h2-5,10-11H,6-9,12H2,1H3,(H2,20,24).
What are the key properties of 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide?
2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide has a molecular weight of 424.91 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide is sourced from PubChem (CID 992269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).