1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

C12H16ClN3O3S — CID 580731

IUPAC1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-9(6-8-16)12(17)15-14/h1-4,9H,5-8,14H2,(H,15,17)
InChIKeyOFPWIKXAQKSKPL-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.73
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 580731) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID580731
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-9(6-8-16)12(17)15-14/h1-4,9H,5-8,14H2,(H,15,17)
InChIKeyOFPWIKXAQKSKPL-UHFFFAOYSA-N
XLogP0.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
1-(3-chloro-2-methylphenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 1444978
N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide
CID 1472595
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 856925
[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3155582
1-{N-[(4-chlorophenyl)sulfonyl]-N-ethylglycyl}piperidine-4-carboxamide
CID 2982052
4-Chloro-N-[3-(4-methyl-piperidin-1-yl)-3-oxo-propyl]-benzenesulfonamide
CID 3160568
4-chloro-N'-({1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)benzenesulfonohydrazide
CID 1472594
N'-[(1-benzyl-4-piperidinyl)carbonyl]-4-chlorobenzenesulfonohydrazide
CID 1481466
N'-({1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)benzenesulfonohydrazide
CID 1491553
1-((4-chlorophenyl)sulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)piperidine-4-carboxamide
CID 17591285

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (CID 580731) is 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is OFPWIKXAQKSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-9(6-8-16)12(17)15-14/h1-4,9H,5-8,14H2,(H,15,17).
What are the key properties of 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 317.80 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 580731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).