2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide

C10H14N4O5S — CID 62153300

IUPAC2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H14N4O5S/c1-10(2,9(12)15)13-20(18,19)8-4-3-6(11)5-7(8)14(16)17/h3-5,13H,11H2,1-2H3,(H2,12,15)
InChIKeyXHKOXHXACGKICJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.28
Rot. Bonds5

About 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide

2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 62153300) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
PubChem CID62153300
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H14N4O5S/c1-10(2,9(12)15)13-20(18,19)8-4-3-6(11)5-7(8)14(16)17/h3-5,13H,11H2,1-2H3,(H2,12,15)
InChIKeyXHKOXHXACGKICJ-UHFFFAOYSA-N
XLogP-0.28
TPSA158.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 141430375
4-amino-N-(3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 62145119
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide
CID 62156942
4-amino-N-(2-ethoxy-2-methylpropyl)-2-nitrobenzenesulfonamide
CID 114944051
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
4-amino-N-hexan-3-yl-2-nitrobenzenesulfonamide
CID 62145819
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
4-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 62152233

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide (CID 62153300) is 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is XHKOXHXACGKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-10(2,9(12)15)13-20(18,19)8-4-3-6(11)5-7(8)14(16)17/h3-5,13H,11H2,1-2H3,(H2,12,15).
What are the key properties of 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide?
2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 302.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 62153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).