2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide

C18H22F2N2O3S — CID 8616471

IUPAC2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O3S/c19-14-1-2-16(15(20)6-14)26(24,25)22-21-17(23)10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,22H,3-5,7-10H2,(H,21,23)
InChIKeyYJDFFYWVJSMWKH-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.88
Rot. Bonds5

About 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide

2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide (PubChem CID 8616471) has the molecular formula C18H22F2N2O3S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
PubChem CID8616471
Molecular FormulaC18H22F2N2O3S
Molecular Weight384.45 g/mol
Exact Mass384.13
IUPAC Name2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O3S/c19-14-1-2-16(15(20)6-14)26(24,25)22-21-17(23)10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,22H,3-5,7-10H2,(H,21,23)
InChIKeyYJDFFYWVJSMWKH-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N'-(4-chloro-2-fluorophenyl)sulfonylacetohydrazide
CID 8616537
2-(1-adamantyl)-N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
CID 8616511
2-(1-adamantyl)-N'-(4-bromo-2-chlorophenyl)sulfonylacetohydrazide
CID 26983035
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 34056933
2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide
CID 8616538
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9475003
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
CID 26983030
N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
CID 55605333
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide (CID 8616471) is 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
The InChIKey is YJDFFYWVJSMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3S/c19-14-1-2-16(15(20)6-14)26(24,25)22-21-17(23)10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,22H,3-5,7-10H2,(H,21,23).
What are the key properties of 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide?
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide has a molecular weight of 384.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8616471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).