2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide

C19H21ClFN3O4S — CID 992270

IUPAC2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O
InChIInChI=1S/C19H21ClFN3O4S/c1-13-10-16(20)18(11-17(13)28-12-19(22)25)29(26,27)24-8-6-23(7-9-24)15-4-2-14(21)3-5-15/h2-5,10-11H,6-9,12H2,1H3,(H2,22,25)
InChIKeyAUMPUFMQPUTRJU-UHFFFAOYSA-N
MW441.91 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide

2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide (PubChem CID 992270) has the molecular formula C19H21ClFN3O4S and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide
PubChem CID992270
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91 g/mol
Exact Mass441.09
IUPAC Name2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O
InChIInChI=1S/C19H21ClFN3O4S/c1-13-10-16(20)18(11-17(13)28-12-19(22)25)29(26,27)24-8-6-23(7-9-24)15-4-2-14(21)3-5-15/h2-5,10-11H,6-9,12H2,1H3,(H2,22,25)
InChIKeyAUMPUFMQPUTRJU-UHFFFAOYSA-N
XLogP2.16
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fenasulam
CID 12923188
N-[4-({[2-(4-chloro-2-methylphenoxy)ethyl]amino}sulfonyl)phenyl]acetamide
CID 607667
2-{4-Chloro-5-[(4-ethoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992267
2-[4-Chloro-2-methyl-5-(3-toluidinosulfonyl)phenoxy]acetamide
CID 992283
2-[4-Chloro-2-methyl-5-(4-toluidinosulfonyl)phenoxy]acetamide
CID 992284
2-{4-Chloro-5-[(4-methoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992285
2-(4-chloro-3,5-dimethylphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1226677
2-(4-chloro-3-methylphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1226678
2-[4-chloro-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-cyclohexylacetamide
CID 2204207
2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 2204489
2-[4-Chloro-5-({[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]amino}sulfonyl)-2-methylphenoxy]acetamide
CID 2950774
2-(4-chloro-5-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)-N-cyclohexylacetamide
CID 2953526

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide (CID 992270) is 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide?
The InChIKey is AUMPUFMQPUTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O4S/c1-13-10-16(20)18(11-17(13)28-12-19(22)25)29(26,27)24-8-6-23(7-9-24)15-4-2-14(21)3-5-15/h2-5,10-11H,6-9,12H2,1H3,(H2,22,25).
What are the key properties of 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide?
2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide has a molecular weight of 441.91 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetamide is sourced from PubChem (CID 992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).