N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C16H17N3O7S — CID 10500886

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O7S/c1-26-14-6-8-15(9-7-14)27(24,25)18(11-16(20)17-21)10-12-2-4-13(5-3-12)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyLOYIGNDQOZNJNZ-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.30
Rot. Bonds8

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10500886) has the molecular formula C16H17N3O7S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10500886
Molecular FormulaC16H17N3O7S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O7S/c1-26-14-6-8-15(9-7-14)27(24,25)18(11-16(20)17-21)10-12-2-4-13(5-3-12)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyLOYIGNDQOZNJNZ-UHFFFAOYSA-N
XLogP1.30
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10500886) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is LOYIGNDQOZNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O7S/c1-26-14-6-8-15(9-7-14)27(24,25)18(11-16(20)17-21)10-12-2-4-13(5-3-12)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 395.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10500886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).