2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid

C21H19N3O5S — CID 3337037

IUPAC2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCN(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O5S/c1-24(30(28,29)18-11-10-15-6-2-3-7-16(15)12-18)14-20(25)23-22-13-17-8-4-5-9-19(17)21(26)27/h2-13H,14H2,1H3,(H,23,25)(H,26,27)
InChIKeyFAJKUIKEEFZPMB-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.31
Rot. Bonds7

About 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid

2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 3337037) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID3337037
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCN(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O5S/c1-24(30(28,29)18-11-10-15-6-2-3-7-16(15)12-18)14-20(25)23-22-13-17-8-4-5-9-19(17)21(26)27/h2-13H,14H2,1H3,(H,23,25)(H,26,27)
InChIKeyFAJKUIKEEFZPMB-UHFFFAOYSA-N
XLogP2.31
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 93050526
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
N-[(2-ethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 5136428
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511415
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511407
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 6142130
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4041187
2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
CID 69459382
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid (CID 3337037) is 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is CN(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is FAJKUIKEEFZPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-24(30(28,29)18-11-10-15-6-2-3-7-16(15)12-18)14-20(25)23-22-13-17-8-4-5-9-19(17)21(26)27/h2-13H,14H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid?
2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 425.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 3337037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).