2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide

C11H15N3O6S — CID 43400349

IUPAC2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O6S/c1-7(2)13-11(16)6-12-21(19,20)8-3-4-10(15)9(5-8)14(17)18/h3-5,7,12,15H,6H2,1-2H3,(H,13,16)
InChIKeyXVGUXTYKRDIPOH-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.10
Rot. Bonds6

About 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43400349) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43400349
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O6S/c1-7(2)13-11(16)6-12-21(19,20)8-3-4-10(15)9(5-8)14(17)18/h3-5,7,12,15H,6H2,1-2H3,(H,13,16)
InChIKeyXVGUXTYKRDIPOH-UHFFFAOYSA-N
XLogP0.10
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43397585
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029
2-[[(4-hydroxy-3-nitrophenyl)sulfonylamino]methyl]butanoic acid
CID 65222533
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427428
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108273
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
4-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)-3-nitrobenzenesulfonamide
CID 106143830
N-(2-amino-2-ethylbutyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 115306079
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712
N-(4-butan-2-ylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43001005
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189603

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 43400349) is 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is XVGUXTYKRDIPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-7(2)13-11(16)6-12-21(19,20)8-3-4-10(15)9(5-8)14(17)18/h3-5,7,12,15H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 317.32 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43400349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).