1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide

C11H12ClFN2O3S — CID 168718393

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H12ClFN2O3S/c12-11-7(2-1-3-9(11)13)5-15-6-8(4-10(15)16)19(14,17)18/h1-3,8H,4-6H2,(H2,14,17,18)
InChIKeyPRAZKQCFSAWKST-UHFFFAOYSA-N
MW306.75 g/mol
LogP0.87
Rot. Bonds3

About 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide

1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718393) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718393
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H12ClFN2O3S/c12-11-7(2-1-3-9(11)13)5-15-6-8(4-10(15)16)19(14,17)18/h1-3,8H,4-6H2,(H2,14,17,18)
InChIKeyPRAZKQCFSAWKST-UHFFFAOYSA-N
XLogP0.87
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-amino-3-[(2-chloro-3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 113431480
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168660373
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718393) is 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PRAZKQCFSAWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c12-11-7(2-1-3-9(11)13)5-15-6-8(4-10(15)16)19(14,17)18/h1-3,8H,4-6H2,(H2,14,17,18).
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 306.75 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).