2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide

C10H13FN4O5S — CID 62148008

IUPAC2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC
InChIInChI=1S/C10H13FN4O5S/c1-12-8-4-6(15(17)18)3-7(11)10(8)21(19,20)14-5-9(16)13-2/h3-4,12,14H,5H2,1-2H3,(H,13,16)
InChIKeyHOCNWYATVUMQHV-UHFFFAOYSA-N
MW320.30 g/mol
LogP-0.20
Rot. Bonds6

About 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide

2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide (PubChem CID 62148008) has the molecular formula C10H13FN4O5S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
PubChem CID62148008
Molecular FormulaC10H13FN4O5S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC
InChIInChI=1S/C10H13FN4O5S/c1-12-8-4-6(15(17)18)3-7(11)10(8)21(19,20)14-5-9(16)13-2/h3-4,12,14H,5H2,1-2H3,(H,13,16)
InChIKeyHOCNWYATVUMQHV-UHFFFAOYSA-N
XLogP-0.20
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-fluoro-6-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63960814
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
2-[(3-fluoro-5-nitrophenyl)methylamino]-N-methylacetamide
CID 112646650
2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
CID 62158104
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide (CID 62148008) is 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC.
What is the InChIKey of 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide?
The InChIKey is HOCNWYATVUMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O5S/c1-12-8-4-6(15(17)18)3-7(11)10(8)21(19,20)14-5-9(16)13-2/h3-4,12,14H,5H2,1-2H3,(H,13,16).
What are the key properties of 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide?
2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide has a molecular weight of 320.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 62148008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).