N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide

C15H14N4O8S — CID 10573603

IUPACN-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO
InChIInChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-5-7-12(8-6-11)18(22)23)28(26,27)14-4-2-1-3-13(14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
InChIKeyBITXXJKMASUYME-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.20
Rot. Bonds8

About N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide

N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide (PubChem CID 10573603) has the molecular formula C15H14N4O8S and a molecular weight of 410.36 g/mol. Its IUPAC name is N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
PubChem CID10573603
Molecular FormulaC15H14N4O8S
Molecular Weight410.36 g/mol
Exact Mass410.05
IUPAC NameN-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO
InChIInChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-5-7-12(8-6-11)18(22)23)28(26,27)14-4-2-1-3-13(14)19(24)25/h1-8,21H,9-10H2,(H,16,20)
InChIKeyBITXXJKMASUYME-UHFFFAOYSA-N
XLogP1.20
TPSA172.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide
CID 10763488
3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10789615
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10552396
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-benzyl-2-nitro-N-(2-oxoethyl)benzenesulfonamide
CID 59106656
N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10721904
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 70293509
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
methyl 2-[furan-2-ylmethyl-(2-nitrophenyl)sulfonylamino]acetate
CID 50894542
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
N-benzyl-N-(2-nitrophenyl)sulfonylacetamide
CID 101350164

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide (CID 10573603) is N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NO.
What is the InChIKey of N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is BITXXJKMASUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O8S/c20-15(16-21)10-17(9-11-5-7-12(8-6-11)18(22)23)28(26,27)14-4-2-1-3-13(14)19(24)25/h1-8,21H,9-10H2,(H,16,20).
What are the key properties of N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide?
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 410.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 10573603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).