2-[(2-nitrophenyl)methylsulfonylamino]acetamide

C9H11N3O5S — CID 64591767

IUPAC2-[(2-nitrophenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O5S/c10-9(13)5-11-18(16,17)6-7-3-1-2-4-8(7)12(14)15/h1-4,11H,5-6H2,(H2,10,13)
InChIKeyUURAWAYHJNFADH-UHFFFAOYSA-N
MW273.27 g/mol
LogP-0.50
Rot. Bonds6

About 2-[(2-nitrophenyl)methylsulfonylamino]acetamide

2-[(2-nitrophenyl)methylsulfonylamino]acetamide (PubChem CID 64591767) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)methylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(2-nitrophenyl)methylsulfonylamino]acetamide
PubChem CID64591767
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Name2-[(2-nitrophenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O5S/c10-9(13)5-11-18(16,17)6-7-3-1-2-4-8(7)12(14)15/h1-4,11H,5-6H2,(H2,10,13)
InChIKeyUURAWAYHJNFADH-UHFFFAOYSA-N
XLogP-0.50
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(2-nitrophenyl)methylsulfonylamino]butanoic acid
CID 62021246
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
2-methyl-2-[(2-nitrophenyl)methylsulfonylamino]propanoic acid
CID 62022787
N-(2-amino-2-ethylbutyl)-1-(2-nitrophenyl)methanesulfonamide
CID 115305942
4-[(2-nitrophenyl)methylsulfonyl]aniline
CID 61368787
N-(1,3-dihydroxypropan-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 65314292
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 79529527
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
N-(2-cyanoethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 55102339
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
N-[(1-aminocyclobutyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 103352843

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)methylsulfonylamino]acetamide?
The IUPAC name of 2-[(2-nitrophenyl)methylsulfonylamino]acetamide (CID 64591767) is 2-[(2-nitrophenyl)methylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(2-nitrophenyl)methylsulfonylamino]acetamide?
The canonical SMILES for 2-[(2-nitrophenyl)methylsulfonylamino]acetamide is NC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrophenyl)methylsulfonylamino]acetamide?
The InChIKey is UURAWAYHJNFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c10-9(13)5-11-18(16,17)6-7-3-1-2-4-8(7)12(14)15/h1-4,11H,5-6H2,(H2,10,13).
What are the key properties of 2-[(2-nitrophenyl)methylsulfonylamino]acetamide?
2-[(2-nitrophenyl)methylsulfonylamino]acetamide has a molecular weight of 273.27 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)methylsulfonylamino]acetamide is sourced from PubChem (CID 64591767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).