N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

C18H17FN2O4S — CID 2955965

IUPACN-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4S/c1-12-2-8-15(9-3-12)26(24,25)21-16(10-11-17(21)22)18(23)20-14-6-4-13(19)5-7-14/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyQLSPVMLCHZRMSB-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.45
Rot. Bonds4

About N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 2955965) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID2955965
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC NameN-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4S/c1-12-2-8-15(9-3-12)26(24,25)21-16(10-11-17(21)22)18(23)20-14-6-4-13(19)5-7-14/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyQLSPVMLCHZRMSB-UHFFFAOYSA-N
XLogP2.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 2955965) is N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QLSPVMLCHZRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-12-2-8-15(9-3-12)26(24,25)21-16(10-11-17(21)22)18(23)20-14-6-4-13(19)5-7-14/h2-9,16H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 2955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).