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

C19H20ClFN2O3S — CID 1322945

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H20ClFN2O3S/c20-16-5-9-18(10-6-16)27(25,26)23(13-15-3-7-17(21)8-4-15)14-19(24)22-11-1-2-12-22/h3-10H,1-2,11-14H2
InChIKeyPRYWYKPFQDEGDJ-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.29
Rot. Bonds6

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

4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 1322945) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID1322945
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H20ClFN2O3S/c20-16-5-9-18(10-6-16)27(25,26)23(13-15-3-7-17(21)8-4-15)14-19(24)22-11-1-2-12-22/h3-10H,1-2,11-14H2
InChIKeyPRYWYKPFQDEGDJ-UHFFFAOYSA-N
XLogP3.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 1322945) is 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is PRYWYKPFQDEGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-16-5-9-18(10-6-16)27(25,26)23(13-15-3-7-17(21)8-4-15)14-19(24)22-11-1-2-12-22/h3-10H,1-2,11-14H2.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 410.90 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).