N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H19FN2O3S — CID 6459123

IUPACN-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3
InChIKeyMBGNODNZNYYMIV-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.21
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 6459123) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID6459123
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3
InChIKeyMBGNODNZNYYMIV-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 6459123) is N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is MBGNODNZNYYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 6459123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).