2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H17Cl2F3N2O4S — CID 92647717

IUPAC2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H17Cl2F3N2O4S/c20-13-4-6-16(17(10-13)31(28,29)26-7-1-2-8-26)30-11-18(27)25-15-9-12(19(22,23)24)3-5-14(15)21/h3-6,9-10H,1-2,7-8,11H2,(H,25,27)
InChIKeyODYVJDMSIZZTFU-UHFFFAOYSA-N
MW497.32 g/mol
LogP4.81
Rot. Bonds6

About 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 92647717) has the molecular formula C19H17Cl2F3N2O4S and a molecular weight of 497.32 g/mol. Its IUPAC name is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID92647717
Molecular FormulaC19H17Cl2F3N2O4S
Molecular Weight497.32 g/mol
Exact Mass496.02
IUPAC Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H17Cl2F3N2O4S/c20-13-4-6-16(17(10-13)31(28,29)26-7-1-2-8-26)30-11-18(27)25-15-9-12(19(22,23)24)3-5-14(15)21/h3-6,9-10H,1-2,7-8,11H2,(H,25,27)
InChIKeyODYVJDMSIZZTFU-UHFFFAOYSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698
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
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
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
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7433996
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 92647820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 92647717) is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ODYVJDMSIZZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O4S/c20-13-4-6-16(17(10-13)31(28,29)26-7-1-2-8-26)30-11-18(27)25-15-9-12(19(22,23)24)3-5-14(15)21/h3-6,9-10H,1-2,7-8,11H2,(H,25,27).
What are the key properties of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 497.32 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 92647717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).