N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide

C19H18N4O4S — CID 9401971

IUPACN-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccn1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O4S/c1-23(13-18(24)21-22-19(25)17-8-4-5-11-20-17)28(26,27)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyQHNIJTVBWOMPFH-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.32
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide

N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide (PubChem CID 9401971) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
PubChem CID9401971
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccn1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O4S/c1-23(13-18(24)21-22-19(25)17-8-4-5-11-20-17)28(26,27)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyQHNIJTVBWOMPFH-UHFFFAOYSA-N
XLogP1.32
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4041187
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179
1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea
CID 9428881
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide (CID 9401971) is N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide is CN(CC(=O)NNC(=O)c1ccccn1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is QHNIJTVBWOMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23(13-18(24)21-22-19(25)17-8-4-5-11-20-17)28(26,27)16-10-9-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide?
N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 398.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 9401971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).