2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide

C10H13FN4O5S — CID 62159409

IUPAC2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN4O5S/c1-5(10(16)13-2)14-21(19,20)9-7(11)3-6(15(17)18)4-8(9)12/h3-5,14H,12H2,1-2H3,(H,13,16)
InChIKeyOONQUWFZYKUDHA-UHFFFAOYSA-N
MW320.30 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide

2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 62159409) has the molecular formula C10H13FN4O5S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID62159409
Molecular FormulaC10H13FN4O5S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN4O5S/c1-5(10(16)13-2)14-21(19,20)9-7(11)3-6(15(17)18)4-8(9)12/h3-5,14H,12H2,1-2H3,(H,13,16)
InChIKeyOONQUWFZYKUDHA-UHFFFAOYSA-N
XLogP-0.27
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 5-0.27
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-amino-6-fluoro-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 62146404
2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
CID 62158104
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
CID 62148008
2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
CID 62059014

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide (CID 62159409) is 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is OONQUWFZYKUDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O5S/c1-5(10(16)13-2)14-21(19,20)9-7(11)3-6(15(17)18)4-8(9)12/h3-5,14H,12H2,1-2H3,(H,13,16).
What are the key properties of 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide?
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 320.30 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 62159409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).