N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide

C21H24F2N4O4S — CID 3447933

IUPACN-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNCC(=O)Nc3cc(F)ccc3F)C2)cc1
InChIInChI=1S/C21H24F2N4O4S/c1-14-4-7-17(8-5-14)32(30,31)27-10-2-3-15(13-27)21(29)26-24-12-20(28)25-19-11-16(22)6-9-18(19)23/h4-9,11,15,24H,2-3,10,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyZFFCKTJQBMDDCR-UHFFFAOYSA-N
MW466.51 g/mol
LogP1.93
Rot. Bonds7

About N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide

N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide (PubChem CID 3447933) has the molecular formula C21H24F2N4O4S and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide
PubChem CID3447933
Molecular FormulaC21H24F2N4O4S
Molecular Weight466.51 g/mol
Exact Mass466.15
IUPAC NameN-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNCC(=O)Nc3cc(F)ccc3F)C2)cc1
InChIInChI=1S/C21H24F2N4O4S/c1-14-4-7-17(8-5-14)32(30,31)27-10-2-3-15(13-27)21(29)26-24-12-20(28)25-19-11-16(22)6-9-18(19)23/h4-9,11,15,24H,2-3,10,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyZFFCKTJQBMDDCR-UHFFFAOYSA-N
XLogP1.93
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide 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-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide (CID 3447933) is N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NNCC(=O)Nc3cc(F)ccc3F)C2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide?
The InChIKey is ZFFCKTJQBMDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O4S/c1-14-4-7-17(8-5-14)32(30,31)27-10-2-3-15(13-27)21(29)26-24-12-20(28)25-19-11-16(22)6-9-18(19)23/h4-9,11,15,24H,2-3,10,12-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide?
N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]acetamide is sourced from PubChem (CID 3447933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).