N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H12F2N2O4S — CID 78982469

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CN1
InChIInChI=1S/C12H12F2N2O4S/c13-12(14)21(19,20)9-3-1-8(2-4-9)16-11(18)7-5-10(17)15-6-7/h1-4,7,12H,5-6H2,(H,15,17)(H,16,18)
InChIKeyFVXGEWBIWHCZET-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.76
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982469) has the molecular formula C12H12F2N2O4S and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982469
Molecular FormulaC12H12F2N2O4S
Molecular Weight318.30 g/mol
Exact Mass318.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CN1
InChIInChI=1S/C12H12F2N2O4S/c13-12(14)21(19,20)9-3-1-8(2-4-9)16-11(18)7-5-10(17)15-6-7/h1-4,7,12H,5-6H2,(H,15,17)(H,16,18)
InChIKeyFVXGEWBIWHCZET-UHFFFAOYSA-N
XLogP0.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981903
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982469) is N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CN1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FVXGEWBIWHCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4S/c13-12(14)21(19,20)9-3-1-8(2-4-9)16-11(18)7-5-10(17)15-6-7/h1-4,7,12H,5-6H2,(H,15,17)(H,16,18).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).