N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide

C24H26FN5O4S — CID 146211298

IUPACN-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(C(=O)c2ccc(Cn3cc(COc4ccc(F)cc4)nn3)cc2)C1
InChIInChI=1S/C24H26FN5O4S/c1-2-35(32,33)26-13-19-11-12-29(14-19)24(31)20-5-3-18(4-6-20)15-30-16-22(27-28-30)17-34-23-9-7-21(25)8-10-23/h2-10,16,19,26H,1,11-15,17H2
InChIKeyFPJAZGWQADPEJI-UHFFFAOYSA-N
MW499.57 g/mol
LogP2.57
Rot. Bonds10

About N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211298) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211298
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC NameN-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(C(=O)c2ccc(Cn3cc(COc4ccc(F)cc4)nn3)cc2)C1
InChIInChI=1S/C24H26FN5O4S/c1-2-35(32,33)26-13-19-11-12-29(14-19)24(31)20-5-3-18(4-6-20)15-30-16-22(27-28-30)17-34-23-9-7-21(25)8-10-23/h2-10,16,19,26H,1,11-15,17H2
InChIKeyFPJAZGWQADPEJI-UHFFFAOYSA-N
XLogP2.57
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide 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-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146211298) is N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCN(C(=O)c2ccc(Cn3cc(COc4ccc(F)cc4)nn3)cc2)C1.
What is the InChIKey of N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is FPJAZGWQADPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-2-35(32,33)26-13-19-11-12-29(14-19)24(31)20-5-3-18(4-6-20)15-30-16-22(27-28-30)17-34-23-9-7-21(25)8-10-23/h2-10,16,19,26H,1,11-15,17H2.
What are the key properties of N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 499.57 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).