(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide

C23H22FN3O4S — CID 1446050

IUPAC(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c24-20-10-7-17(8-11-20)22(28)25-26-23(29)19-6-3-13-27(15-19)32(30,31)21-12-9-16-4-1-2-5-18(16)14-21/h1-2,4-5,7-12,14,19H,3,6,13,15H2,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyXKIGXSKTSDKSFP-IBGZPJMESA-N
MW455.51 g/mol
LogP2.84
Rot. Bonds4

About (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide

(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide (PubChem CID 1446050) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
PubChem CID1446050
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c24-20-10-7-17(8-11-20)22(28)25-26-23(29)19-6-3-13-27(15-19)32(30,31)21-12-9-16-4-1-2-5-18(16)14-21/h1-2,4-5,7-12,14,19H,3,6,13,15H2,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyXKIGXSKTSDKSFP-IBGZPJMESA-N
XLogP2.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.84
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'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 3230759
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
3-(4-fluorophenyl)-1-naphthalen-2-ylsulfonylazepane
CID 90608901
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 43872886

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide (CID 1446050) is (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide is O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1.
What is the InChIKey of (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is XKIGXSKTSDKSFP-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-20-10-7-17(8-11-20)22(28)25-26-23(29)19-6-3-13-27(15-19)32(30,31)21-12-9-16-4-1-2-5-18(16)14-21/h1-2,4-5,7-12,14,19H,3,6,13,15H2,(H,25,28)(H,26,29)/t19-/m0/s1.
What are the key properties of (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide?
(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 455.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 1446050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).