N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

C19H21F5N4O4S — CID 167969641

IUPACN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOCCN1C(=O)C[C@H](CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C19H21F5N4O4S/c1-9-11(8-25-27(9)2)18-10(6-12(29)28(18)4-5-32-3)7-26-33(30,31)19-16(23)14(21)13(20)15(22)17(19)24/h8,10,18,26H,4-7H2,1-3H3/t10-,18+/m1/s1
InChIKeyRTNNGMMYBAGXGW-MGNBDDOMSA-N
MW496.46 g/mol
LogP1.94
Rot. Bonds8

About N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 167969641) has the molecular formula C19H21F5N4O4S and a molecular weight of 496.46 g/mol. Its IUPAC name is N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID167969641
Molecular FormulaC19H21F5N4O4S
Molecular Weight496.46 g/mol
Exact Mass496.12
IUPAC NameN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCOCCN1C(=O)C[C@H](CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C19H21F5N4O4S/c1-9-11(8-25-27(9)2)18-10(6-12(29)28(18)4-5-32-3)7-26-33(30,31)19-16(23)14(21)13(20)15(22)17(19)24/h8,10,18,26H,4-7H2,1-3H3/t10-,18+/m1/s1
InChIKeyRTNNGMMYBAGXGW-MGNBDDOMSA-N
XLogP1.94
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 167969641) is N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is COCCN1C(=O)C[C@H](CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1cnn(C)c1C.
What is the InChIKey of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is RTNNGMMYBAGXGW-MGNBDDOMSA-N. The full InChI is InChI=1S/C19H21F5N4O4S/c1-9-11(8-25-27(9)2)18-10(6-12(29)28(18)4-5-32-3)7-26-33(30,31)19-16(23)14(21)13(20)15(22)17(19)24/h8,10,18,26H,4-7H2,1-3H3/t10-,18+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 496.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 167969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).