1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

C19H22ClN3O3S — CID 1481466

IUPAC1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-6-8-18(9-7-17)27(25,26)22-21-19(24)16-10-12-23(13-11-16)14-15-4-2-1-3-5-15/h1-9,16,22H,10-14H2,(H,21,24)
InChIKeyYUXQEHZRQQXVJP-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.56
Rot. Bonds6

About 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 1481466) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID1481466
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-6-8-18(9-7-17)27(25,26)22-21-19(24)16-10-12-23(13-11-16)14-15-4-2-1-3-5-15/h1-9,16,22H,10-14H2,(H,21,24)
InChIKeyYUXQEHZRQQXVJP-UHFFFAOYSA-N
XLogP2.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.56
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

N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1149731
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid 4-fluoro-benzylamide
CID 2668514
4-fluoro-N'-{[1-(3-fluorobenzyl)-4-piperidinyl]carbonyl}benzenesulfonohydrazide
CID 3748274
N'-[(1-benzyl-4-piperidinyl)carbonyl]-4-methylbenzenesulfonohydrazide
CID 3794344
N-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 3885050
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(1-phenylethyl)butanamide
CID 4299261
N-(3-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8071772
N-(3-((4-chlorobenzyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584672

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (CID 1481466) is 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is YUXQEHZRQQXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-17-6-8-18(9-7-17)27(25,26)22-21-19(24)16-10-12-23(13-11-16)14-15-4-2-1-3-5-15/h1-9,16,22H,10-14H2,(H,21,24).
What are the key properties of 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 407.92 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 1481466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).