N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide

C23H29FN4O3S — CID 56836831

IUPACN-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3
InChIKeyIMGNZWFDWZCPBK-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.80
Rot. Bonds11

About N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 56836831) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID56836831
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC NameN-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3
InChIKeyIMGNZWFDWZCPBK-UHFFFAOYSA-N
XLogP2.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide 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-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide (CID 56836831) is N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide is CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is IMGNZWFDWZCPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3.
What are the key properties of N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 460.58 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 56836831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).