2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide

C20H23Cl2N3O3S — CID 24957468

IUPAC2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NNc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14-18(22)5-2-6-19(14)29(27,28)25-11-3-4-15(13-25)12-20(26)24-23-17-9-7-16(21)8-10-17/h2,5-10,15,23H,3-4,11-13H2,1H3,(H,24,26)
InChIKeyALMDBGHPCLNZAM-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.24
Rot. Bonds6

About 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide

2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide (PubChem CID 24957468) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide
PubChem CID24957468
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC Name2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NNc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14-18(22)5-2-6-19(14)29(27,28)25-11-3-4-15(13-25)12-20(26)24-23-17-9-7-16(21)8-10-17/h2,5-10,15,23H,3-4,11-13H2,1H3,(H,24,26)
InChIKeyALMDBGHPCLNZAM-UHFFFAOYSA-N
XLogP4.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]acetyl]amino]piperidine-3-carboxylic acid
CID 69168763
2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylpiperidin-1-yl)acetamide
CID 69169149
2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
CID 24960427
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211749
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 11619039
2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 24961532
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 58702041

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide (CID 24957468) is 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide is Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NNc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide?
The InChIKey is ALMDBGHPCLNZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-14-18(22)5-2-6-19(14)29(27,28)25-11-3-4-15(13-25)12-20(26)24-23-17-9-7-16(21)8-10-17/h2,5-10,15,23H,3-4,11-13H2,1H3,(H,24,26).
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide?
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide has a molecular weight of 456.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide is sourced from PubChem (CID 24957468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).