N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C19H21FN2O3S — CID 1167450

IUPACN-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C19H21FN2O3S/c20-17-8-10-18(11-9-17)26(24,25)22(14-16-6-2-1-3-7-16)15-19(23)21-12-4-5-13-21/h1-3,6-11H,4-5,12-15H2
InChIKeyZZNDEKVTUYCBCT-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.64
Rot. Bonds6

About N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 1167450) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID1167450
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C19H21FN2O3S/c20-17-8-10-18(11-9-17)26(24,25)22(14-16-6-2-1-3-7-16)15-19(23)21-12-4-5-13-21/h1-3,6-11H,4-5,12-15H2
InChIKeyZZNDEKVTUYCBCT-UHFFFAOYSA-N
XLogP2.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 1167450) is N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZZNDEKVTUYCBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-8-10-18(11-9-17)26(24,25)22(14-16-6-2-1-3-7-16)15-19(23)21-12-4-5-13-21/h1-3,6-11H,4-5,12-15H2.
What are the key properties of N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1167450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).