4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide

C18H20ClN3O3S — CID 78774797

IUPAC4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-10-9-14(18(23)21-20-15-7-3-1-4-8-15)13-17(16)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12H2,(H,21,23)
InChIKeyMKJCGPGAFAWWLP-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide

4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 78774797) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID78774797
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-10-9-14(18(23)21-20-15-7-3-1-4-8-15)13-17(16)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12H2,(H,21,23)
InChIKeyMKJCGPGAFAWWLP-UHFFFAOYSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.27
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'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2124994
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7378013
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596
4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25488088
3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide
CID 29331286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide (CID 78774797) is 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is MKJCGPGAFAWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-10-9-14(18(23)21-20-15-7-3-1-4-8-15)13-17(16)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12H2,(H,21,23).
What are the key properties of 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide?
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 393.90 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 78774797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).