2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid

C18H14N2O4S — CID 69459382

IUPAC2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1C=NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O4S/c21-18(22)17-8-4-3-7-15(17)12-19-20-25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-12,20H,(H,21,22)
InChIKeySDVWQCNGRVAPGC-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.85
Rot. Bonds5

About 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid

2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid (PubChem CID 69459382) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
PubChem CID69459382
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1C=NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O4S/c21-18(22)17-8-4-3-7-15(17)12-19-20-25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-12,20H,(H,21,22)
InChIKeySDVWQCNGRVAPGC-UHFFFAOYSA-N
XLogP2.85
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3337037
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide
CID 170554185
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-sulfonamide
CID 135873369
3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide
CID 69458221
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
CID 69461038
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
CID 87246277
CID 87246277
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid (CID 69459382) is 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccccc1C=NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is SDVWQCNGRVAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-18(22)17-8-4-3-7-15(17)12-19-20-25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-12,20H,(H,21,22).
What are the key properties of 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid?
2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 354.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 69459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).