N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide

C10H13N3O6S — CID 43398029

IUPACN-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O6S/c1-7(14)11-4-5-12-20(18,19)8-2-3-10(15)9(6-8)13(16)17/h2-3,6,12,15H,4-5H2,1H3,(H,11,14)
InChIKeyDYIDEACAJLEXLG-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.29
Rot. Bonds6

About N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 43398029) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
PubChem CID43398029
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC NameN-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O6S/c1-7(14)11-4-5-12-20(18,19)8-2-3-10(15)9(6-8)13(16)17/h2-3,6,12,15H,4-5H2,1H3,(H,11,14)
InChIKeyDYIDEACAJLEXLG-UHFFFAOYSA-N
XLogP-0.29
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147495
4-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 83036735
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide
CID 61073218
1,1-dimethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 118986455
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427428
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
2-[(4-amino-3-nitrophenyl)sulfonylamino]ethylurea
CID 83115528
1-ethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 4039653
4-hydroxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60656162
N-(2-but-3-enoxyethyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 106402552

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide (CID 43398029) is N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is DYIDEACAJLEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c1-7(14)11-4-5-12-20(18,19)8-2-3-10(15)9(6-8)13(16)17/h2-3,6,12,15H,4-5H2,1H3,(H,11,14).
What are the key properties of N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 303.30 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 43398029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).