N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C19H20Cl2N2O4S — CID 126394235

IUPACN-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4S/c1-13-8-17(28(25,26)23-6-2-3-7-23)4-5-18(13)27-12-19(24)22-16-10-14(20)9-15(21)11-16/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,22,24)
InChIKeyIIIJEJWLSNEQFA-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.10
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 126394235) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID126394235
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4S/c1-13-8-17(28(25,26)23-6-2-3-7-23)4-5-18(13)27-12-19(24)22-16-10-14(20)9-15(21)11-16/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,22,24)
InChIKeyIIIJEJWLSNEQFA-UHFFFAOYSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 3161694
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 126394235) is N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is IIIJEJWLSNEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-13-8-17(28(25,26)23-6-2-3-7-23)4-5-18(13)27-12-19(24)22-16-10-14(20)9-15(21)11-16/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,22,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 443.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 126394235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).