2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H18ClFN2O3S — CID 1025715

IUPAC2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-4-3-5-17(20)15(16)12-18(23)21-13-6-8-14(9-7-13)26(24,25)22-10-1-2-11-22/h3-9H,1-2,10-12H2,(H,21,23)
InChIKeyGESRJIYNACIFBP-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1025715) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1025715
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-4-3-5-17(20)15(16)12-18(23)21-13-6-8-14(9-7-13)26(24,25)22-10-1-2-11-22/h3-9H,1-2,10-12H2,(H,21,23)
InChIKeyGESRJIYNACIFBP-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1025715) is 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GESRJIYNACIFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-16-4-3-5-17(20)15(16)12-18(23)21-13-6-8-14(9-7-13)26(24,25)22-10-1-2-11-22/h3-9H,1-2,10-12H2,(H,21,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 396.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1025715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).