2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide

C15H14ClN3O6S — CID 10763488

IUPAC2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO
InChIInChI=1S/C15H14ClN3O6S/c16-13-8-12(6-7-14(13)19(22)23)26(24,25)18(10-15(20)17-21)9-11-4-2-1-3-5-11/h1-8,21H,9-10H2,(H,17,20)
InChIKeyZNEMDDRWKURHMA-UHFFFAOYSA-N
MW399.81 g/mol
LogP1.94
Rot. Bonds7

About 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide

2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 10763488) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID10763488
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO
InChIInChI=1S/C15H14ClN3O6S/c16-13-8-12(6-7-14(13)19(22)23)26(24,25)18(10-15(20)17-21)9-11-4-2-1-3-5-11/h1-8,21H,9-10H2,(H,17,20)
InChIKeyZNEMDDRWKURHMA-UHFFFAOYSA-N
XLogP1.94
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718
2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 2247598
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
methyl 2-[benzyl-(2-chloro-5-nitrophenyl)sulfonylamino]acetate
CID 113225434
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide (CID 10763488) is 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NO.
What is the InChIKey of 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is ZNEMDDRWKURHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c16-13-8-12(6-7-14(13)19(22)23)26(24,25)18(10-15(20)17-21)9-11-4-2-1-3-5-11/h1-8,21H,9-10H2,(H,17,20).
What are the key properties of 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide?
2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 399.81 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 10763488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).