2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide

C18H18ClFN2O3S — CID 22250465

IUPAC2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)CC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-13-3-8-16(9-4-13)26(24,25)22-15(11-18(21)23)7-10-17(22)12-1-5-14(20)6-2-12/h1-6,8-9,15,17H,7,10-11H2,(H2,21,23)
InChIKeyDNTFIZAXRGAGLM-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide

2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide (PubChem CID 22250465) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide
PubChem CID22250465
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)CC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-13-3-8-16(9-4-13)26(24,25)22-15(11-18(21)23)7-10-17(22)12-1-5-14(20)6-2-12/h1-6,8-9,15,17H,7,10-11H2,(H2,21,23)
InChIKeyDNTFIZAXRGAGLM-UHFFFAOYSA-N
XLogP3.25
TPSA80.47 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide (CID 22250465) is 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide is NC(=O)CC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide?
The InChIKey is DNTFIZAXRGAGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-13-3-8-16(9-4-13)26(24,25)22-15(11-18(21)23)7-10-17(22)12-1-5-14(20)6-2-12/h1-6,8-9,15,17H,7,10-11H2,(H2,21,23).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide?
2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide has a molecular weight of 396.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 22250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).