N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide

C20H23N3O4S — CID 3230758

IUPACN'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1
InChIInChI=1S/C20H23N3O4S/c24-19(15-7-8-15)21-22-20(25)17-6-3-11-23(13-17)28(26,27)18-10-9-14-4-1-2-5-16(14)12-18/h1-2,4-5,9-10,12,15,17H,3,6-8,11,13H2,(H,21,24)(H,22,25)
InChIKeyHNNLXBNEBGDRSU-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.80
Rot. Bonds4

About N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide

N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide (PubChem CID 3230758) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
PubChem CID3230758
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1
InChIInChI=1S/C20H23N3O4S/c24-19(15-7-8-15)21-22-20(25)17-6-3-11-23(13-17)28(26,27)18-10-9-14-4-1-2-5-16(14)12-18/h1-2,4-5,9-10,12,15,17H,3,6-8,11,13H2,(H,21,24)(H,22,25)
InChIKeyHNNLXBNEBGDRSU-UHFFFAOYSA-N
XLogP1.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide (CID 3230758) is N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is HNNLXBNEBGDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-19(15-7-8-15)21-22-20(25)17-6-3-11-23(13-17)28(26,27)18-10-9-14-4-1-2-5-16(14)12-18/h1-2,4-5,9-10,12,15,17H,3,6-8,11,13H2,(H,21,24)(H,22,25).
What are the key properties of N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 401.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 3230758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).