N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C16H21F3N2O3S — CID 53278261

IUPACN-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-5-8-15(22)20-9-2-3-10-20)14-7-4-6-13(12-14)16(17,18)19/h4,6-7,12H,2-3,5,8-11H2,1H3
InChIKeyJGFOEDGTVPBDRR-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.87
Rot. Bonds6

About N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 53278261) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID53278261
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-5-8-15(22)20-9-2-3-10-20)14-7-4-6-13(12-14)16(17,18)19/h4,6-7,12H,2-3,5,8-11H2,1H3
InChIKeyJGFOEDGTVPBDRR-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
N-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286539
N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286671
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461
N-(2,4-dimethylpentan-3-yl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286775
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286944
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-(3-methoxypropyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286873
N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 112759316

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 53278261) is N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is JGFOEDGTVPBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-5-8-15(22)20-9-2-3-10-20)14-7-4-6-13(12-14)16(17,18)19/h4,6-7,12H,2-3,5,8-11H2,1H3.
What are the key properties of N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 378.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 53278261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).