(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide

C20H22FN3O4S — CID 57118359

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c21-16-9-11-17(12-10-16)29(27,28)24-13-5-4-8-18(24)20(26)23-22-19(25)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyQYBLVMMHVCTUJC-SFHVURJKSA-N
MW419.48 g/mol
LogP1.76
Rot. Bonds5

About (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide

(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide (PubChem CID 57118359) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
PubChem CID57118359
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c21-16-9-11-17(12-10-16)29(27,28)24-13-5-4-8-18(24)20(26)23-22-19(25)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyQYBLVMMHVCTUJC-SFHVURJKSA-N
XLogP1.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.76
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-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865512
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
(2S)-N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9490325
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124783228

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide (CID 57118359) is (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide?
The InChIKey is QYBLVMMHVCTUJC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-16-9-11-17(12-10-16)29(27,28)24-13-5-4-8-18(24)20(26)23-22-19(25)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide?
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide has a molecular weight of 419.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide is sourced from PubChem (CID 57118359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).