2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide

C8H11N5O5S — CID 43545770

IUPAC2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
SMILESNNc1ccc(S(=O)(=O)NCC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H11N5O5S/c9-8(14)4-11-19(17,18)7-2-1-5(12-10)3-6(7)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14)
InChIKeyAUMCRYUJMPBYPF-UHFFFAOYSA-N
MW289.27 g/mol
LogP-1.36
Rot. Bonds6

About 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide

2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide (PubChem CID 43545770) has the molecular formula C8H11N5O5S and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
PubChem CID43545770
Molecular FormulaC8H11N5O5S
Molecular Weight289.27 g/mol
Exact Mass289.05
IUPAC Name2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
SMILESNNc1ccc(S(=O)(=O)NCC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H11N5O5S/c9-8(14)4-11-19(17,18)7-2-1-5(12-10)3-6(7)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14)
InChIKeyAUMCRYUJMPBYPF-UHFFFAOYSA-N
XLogP-1.36
TPSA170.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
CID 83205612
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
CID 43325262
4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
CID 62148432
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114548119
[1-(4-hydrazinyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide (CID 43545770) is 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide is NNc1ccc(S(=O)(=O)NCC(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is AUMCRYUJMPBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O5S/c9-8(14)4-11-19(17,18)7-2-1-5(12-10)3-6(7)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14).
What are the key properties of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide?
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 289.27 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).