N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C19H20Cl2N2O4S — CID 92647698

IUPACN-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H20Cl2N2O4S/c1-13-15(21)5-4-6-16(13)22-19(24)12-27-17-8-7-14(20)11-18(17)28(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,24)
InChIKeySOOYYSRHEJWEGK-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.10
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 92647698) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID92647698
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H20Cl2N2O4S/c1-13-15(21)5-4-6-16(13)22-19(24)12-27-17-8-7-14(20)11-18(17)28(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,24)
InChIKeySOOYYSRHEJWEGK-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

2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596385
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 92647717
4-[[2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
CID 92647737
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 92647738
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
N-(4-butylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647774
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 92647698) is N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide is Cc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is SOOYYSRHEJWEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-13-15(21)5-4-6-16(13)22-19(24)12-27-17-8-7-14(20)11-18(17)28(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-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-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 92647698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).