N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide

C19H16N6O3S — CID 8505278

IUPACN'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N6O3S/c26-18(13-25-22-19(21-23-25)15-7-2-1-3-8-15)20-24-29(27,28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,24H,13H2,(H,20,26)
InChIKeyJCVJRDMIOWQOKK-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.50
Rot. Bonds6

About N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide

N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide (PubChem CID 8505278) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
PubChem CID8505278
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC NameN'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N6O3S/c26-18(13-25-22-19(21-23-25)15-7-2-1-3-8-15)20-24-29(27,28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,24H,13H2,(H,20,26)
InChIKeyJCVJRDMIOWQOKK-UHFFFAOYSA-N
XLogP1.50
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
N'-(3-chlorophenyl)sulfonyl-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
CID 2730774
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
N'-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(5-phenyltetrazol-2-yl)acetohydrazide
CID 4850298
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide?
The IUPAC name of N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide (CID 8505278) is N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide?
The canonical SMILES for N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide is O=C(Cn1nnc(-c2ccccc2)n1)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide?
The InChIKey is JCVJRDMIOWQOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c26-18(13-25-22-19(21-23-25)15-7-2-1-3-8-15)20-24-29(27,28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,24H,13H2,(H,20,26).
What are the key properties of N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide?
N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide has a molecular weight of 408.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide is sourced from PubChem (CID 8505278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).