N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide

C16H16N4O8S — CID 10526332

IUPACN-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO
InChIInChI=1S/C16H16N4O8S/c21-16(17-22)8-9-18(11-12-4-6-13(7-5-12)19(23)24)29(27,28)15-3-1-2-14(10-15)20(25)26/h1-7,10,22H,8-9,11H2,(H,17,21)
InChIKeyOKYXMUGIKZDUQW-UHFFFAOYSA-N
MW424.39 g/mol
LogP1.59
Rot. Bonds9

About N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide

N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide (PubChem CID 10526332) has the molecular formula C16H16N4O8S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
PubChem CID10526332
Molecular FormulaC16H16N4O8S
Molecular Weight424.39 g/mol
Exact Mass424.07
IUPAC NameN-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO
InChIInChI=1S/C16H16N4O8S/c21-16(17-22)8-9-18(11-12-4-6-13(7-5-12)19(23)24)29(27,28)15-3-1-2-14(10-15)20(25)26/h1-7,10,22H,8-9,11H2,(H,17,21)
InChIKeyOKYXMUGIKZDUQW-UHFFFAOYSA-N
XLogP1.59
TPSA172.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 51.59
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

N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
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-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
CID 10530002
3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoic acid
CID 61008749
ethyl 5-[(4-fluorophenyl)methyl-(3-nitrophenyl)sulfonylamino]pentanoate
CID 46371362
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10721904
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
methyl 3-[2-(4-methoxyphenyl)ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 18678869

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide (CID 10526332) is N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide is O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NO.
What is the InChIKey of N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is OKYXMUGIKZDUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O8S/c21-16(17-22)8-9-18(11-12-4-6-13(7-5-12)19(23)24)29(27,28)15-3-1-2-14(10-15)20(25)26/h1-7,10,22H,8-9,11H2,(H,17,21).
What are the key properties of N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide?
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 424.39 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 10526332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).