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

C11H15N3O6S — CID 10852942

IUPACN-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O6S/c1-21(19,20)13(7-6-11(15)12-16)8-9-2-4-10(5-3-9)14(17)18/h2-5,16H,6-8H2,1H3,(H,12,15)
InChIKeyDRVQSZJJVJPSIN-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.25
Rot. Bonds7

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

N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (PubChem CID 10852942) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
PubChem CID10852942
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC NameN-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O6S/c1-21(19,20)13(7-6-11(15)12-16)8-9-2-4-10(5-3-9)14(17)18/h2-5,16H,6-8H2,1H3,(H,12,15)
InChIKeyDRVQSZJJVJPSIN-UHFFFAOYSA-N
XLogP0.25
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.25
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-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
CID 10530002
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-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
CID 141467047
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The IUPAC name of N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (CID 10852942) is N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The canonical SMILES for N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is CS(=O)(=O)N(CCC(=O)NO)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The InChIKey is DRVQSZJJVJPSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-21(19,20)13(7-6-11(15)12-16)8-9-2-4-10(5-3-9)14(17)18/h2-5,16H,6-8H2,1H3,(H,12,15).
What are the key properties of N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide has a molecular weight of 317.32 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is sourced from PubChem (CID 10852942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).