N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C17H14F4N2O3S — CID 95101484

IUPACN-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C17H14F4N2O3S/c18-12-4-6-13(7-5-12)23-9-8-15(16(23)24)22-27(25,26)14-3-1-2-11(10-14)17(19,20)21/h1-7,10,15,22H,8-9H2/t15-/m0/s1
InChIKeyKGYZYUMEJJOMHP-HNNXBMFYSA-N
MW402.37 g/mol
LogP2.93
Rot. Bonds4

About N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 95101484) has the molecular formula C17H14F4N2O3S and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID95101484
Molecular FormulaC17H14F4N2O3S
Molecular Weight402.37 g/mol
Exact Mass402.07
IUPAC NameN-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C17H14F4N2O3S/c18-12-4-6-13(7-5-12)23-9-8-15(16(23)24)22-27(25,26)14-3-1-2-11(10-14)17(19,20)21/h1-7,10,15,22H,8-9H2/t15-/m0/s1
InChIKeyKGYZYUMEJJOMHP-HNNXBMFYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101436
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40912181
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 126794567
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 95101484) is N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=C1[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1.
What is the InChIKey of N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KGYZYUMEJJOMHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14F4N2O3S/c18-12-4-6-13(7-5-12)23-9-8-15(16(23)24)22-27(25,26)14-3-1-2-11(10-14)17(19,20)21/h1-7,10,15,22H,8-9H2/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 95101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).