N'-(benzenesulfonyl)naphthalene-2-carbohydrazide

C17H14N2O3S — CID 91444236

IUPACN'-(benzenesulfonyl)naphthalene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O3S/c20-17(15-11-10-13-6-4-5-7-14(13)12-15)18-19-23(21,22)16-8-2-1-3-9-16/h1-12,19H,(H,18,20)
InChIKeyAMBVAQCGUXZBSZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.46
Rot. Bonds4

About N'-(benzenesulfonyl)naphthalene-2-carbohydrazide

N'-(benzenesulfonyl)naphthalene-2-carbohydrazide (PubChem CID 91444236) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N'-(benzenesulfonyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)naphthalene-2-carbohydrazide
PubChem CID91444236
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN'-(benzenesulfonyl)naphthalene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O3S/c20-17(15-11-10-13-6-4-5-7-14(13)12-15)18-19-23(21,22)16-8-2-1-3-9-16/h1-12,19H,(H,18,20)
InChIKeyAMBVAQCGUXZBSZ-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.46
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

4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
N'-naphthalen-2-ylsulfonylpyridine-3-carbohydrazide
CID 808034
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
CID 165352501
N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide
CID 10222364
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)naphthalene-2-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)naphthalene-2-carbohydrazide (CID 91444236) is N'-(benzenesulfonyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)naphthalene-2-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)naphthalene-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N'-(benzenesulfonyl)naphthalene-2-carbohydrazide?
The InChIKey is AMBVAQCGUXZBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-17(15-11-10-13-6-4-5-7-14(13)12-15)18-19-23(21,22)16-8-2-1-3-9-16/h1-12,19H,(H,18,20).
What are the key properties of N'-(benzenesulfonyl)naphthalene-2-carbohydrazide?
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide has a molecular weight of 326.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 91444236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).