1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide

C24H23F2N3O4S — CID 25410031

IUPAC1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H23F2N3O4S/c25-19-8-9-21(26)22(15-19)34(32,33)29-12-10-17(11-13-29)24(31)28-27-23(30)14-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,15,17H,10-14H2,(H,27,30)(H,28,31)
InChIKeyKCBSDSKTCLGSNU-UHFFFAOYSA-N
MW487.53 g/mol
LogP2.91
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide

1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide (PubChem CID 25410031) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
PubChem CID25410031
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H23F2N3O4S/c25-19-8-9-21(26)22(15-19)34(32,33)29-12-10-17(11-13-29)24(31)28-27-23(30)14-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,15,17H,10-14H2,(H,27,30)(H,28,31)
InChIKeyKCBSDSKTCLGSNU-UHFFFAOYSA-N
XLogP2.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 52.91
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-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 60575634
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
1-(2,5-difluorophenyl)sulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55643007
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
CID 55514825

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide (CID 25410031) is 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The InChIKey is KCBSDSKTCLGSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c25-19-8-9-21(26)22(15-19)34(32,33)29-12-10-17(11-13-29)24(31)28-27-23(30)14-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,15,17H,10-14H2,(H,27,30)(H,28,31).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide has a molecular weight of 487.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 25410031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).