4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide

C24H30N4O2S — CID 118527484

IUPAC4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2cc(-c3ccccc3)n[nH]2)C2CCNCC2)cc1
InChIInChI=1S/C24H30N4O2S/c1-19-9-11-23(12-10-19)31(29,30)28(22-13-15-25-16-14-22)17-5-8-21-18-24(27-26-21)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,22,25H,5,8,13-17H2,1H3,(H,26,27)
InChIKeyFEAKYUJWORANAC-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.76
Rot. Bonds8

About 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide

4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 118527484) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
PubChem CID118527484
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCc2cc(-c3ccccc3)n[nH]2)C2CCNCC2)cc1
InChIInChI=1S/C24H30N4O2S/c1-19-9-11-23(12-10-19)31(29,30)28(22-13-15-25-16-14-22)17-5-8-21-18-24(27-26-21)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,22,25H,5,8,13-17H2,1H3,(H,26,27)
InChIKeyFEAKYUJWORANAC-UHFFFAOYSA-N
XLogP3.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide 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 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide (CID 118527484) is 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCc2cc(-c3ccccc3)n[nH]2)C2CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is FEAKYUJWORANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-19-9-11-23(12-10-19)31(29,30)28(22-13-15-25-16-14-22)17-5-8-21-18-24(27-26-21)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,22,25H,5,8,13-17H2,1H3,(H,26,27).
What are the key properties of 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 438.60 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 118527484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).