N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

C14H18ClFN2O3S — CID 113144245

IUPACN-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O3S/c1-22(20,21)18(11-4-5-13(16)12(15)10-11)9-6-14(19)17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3
InChIKeySGNWNEIMAJPMTR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.26
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 113144245) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID113144245
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O3S/c1-22(20,21)18(11-4-5-13(16)12(15)10-11)9-6-14(19)17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3
InChIKeySGNWNEIMAJPMTR-UHFFFAOYSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113144037
N-(3-chloro-4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)methanesulfonamide
CID 50947033
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113143965
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53287648
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)methanesulfonamide
CID 126414076
ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 113144245) is N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is SGNWNEIMAJPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-22(20,21)18(11-4-5-13(16)12(15)10-11)9-6-14(19)17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 348.83 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113144245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).