N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide

C21H21FN4O3S — CID 165112535

IUPACN-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(COc2ccc(C3CCNN3)nc2)cc1
InChIInChI=1S/C21H21FN4O3S/c22-16-3-5-17(6-4-16)26-30(27,28)19-8-1-15(2-9-19)14-29-18-7-10-20(23-13-18)21-11-12-24-25-21/h1-10,13,21,24-26H,11-12,14H2
InChIKeyHXTXGJNESVNLOB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.14
Rot. Bonds7

About N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide

N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide (PubChem CID 165112535) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide
PubChem CID165112535
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(COc2ccc(C3CCNN3)nc2)cc1
InChIInChI=1S/C21H21FN4O3S/c22-16-3-5-17(6-4-16)26-30(27,28)19-8-1-15(2-9-19)14-29-18-7-10-20(23-13-18)21-11-12-24-25-21/h1-10,13,21,24-26H,11-12,14H2
InChIKeyHXTXGJNESVNLOB-UHFFFAOYSA-N
XLogP3.14
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide 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-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide (CID 165112535) is N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(COc2ccc(C3CCNN3)nc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide?
The InChIKey is HXTXGJNESVNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c22-16-3-5-17(6-4-16)26-30(27,28)19-8-1-15(2-9-19)14-29-18-7-10-20(23-13-18)21-11-12-24-25-21/h1-10,13,21,24-26H,11-12,14H2.
What are the key properties of N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide?
N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide has a molecular weight of 428.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(6-pyrazolidin-3-yl-3-pyridinyl)oxymethyl]benzenesulfonamide is sourced from PubChem (CID 165112535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).