2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide

C9H9F2N3O5S — CID 79773474

IUPAC2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide
SMILESCN(C)C(=O)c1c(F)c([N+](=O)[O-])cc(S(N)(=O)=O)c1F
InChIInChI=1S/C9H9F2N3O5S/c1-13(2)9(15)6-7(10)4(14(16)17)3-5(8(6)11)20(12,18)19/h3H,1-2H3,(H2,12,18,19)
InChIKeyNMZIOBJISVHXOK-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.22
Rot. Bonds3

About 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide

2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide (PubChem CID 79773474) has the molecular formula C9H9F2N3O5S and a molecular weight of 309.25 g/mol. Its IUPAC name is 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide
PubChem CID79773474
Molecular FormulaC9H9F2N3O5S
Molecular Weight309.25 g/mol
Exact Mass309.02
IUPAC Name2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide
SMILESCN(C)C(=O)c1c(F)c([N+](=O)[O-])cc(S(N)(=O)=O)c1F
InChIInChI=1S/C9H9F2N3O5S/c1-13(2)9(15)6-7(10)4(14(16)17)3-5(8(6)11)20(12,18)19/h3H,1-2H3,(H2,12,18,19)
InChIKeyNMZIOBJISVHXOK-UHFFFAOYSA-N
XLogP0.22
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
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

methyl 3-chlorosulfonyl-2,6-difluoro-5-nitrobenzoate
CID 79773539
2-methylpropyl 4-fluoro-3-nitro-5-sulfamoylbenzoate
CID 65382478
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
3-fluoro-2-methyl-4-nitrobenzenesulfonamide
CID 135743403
2-fluoro-N,N-dimethyl-4,6-dinitrobenzamide;4-fluoro-N,N-dimethyl-2,6-dinitrobenzamide
CID 5290708
2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82913819
1,5-difluoro-2-methylsulfonyl-4-nitrobenzene
CID 152640256
5-acetyl-2-methyl-3-nitrobenzenesulfonamide
CID 63839838
N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide?
The IUPAC name of 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide (CID 79773474) is 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide.
What is the SMILES notation for 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide?
The canonical SMILES for 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide is CN(C)C(=O)c1c(F)c([N+](=O)[O-])cc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide?
The InChIKey is NMZIOBJISVHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O5S/c1-13(2)9(15)6-7(10)4(14(16)17)3-5(8(6)11)20(12,18)19/h3H,1-2H3,(H2,12,18,19).
What are the key properties of 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide?
2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide has a molecular weight of 309.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,N-dimethyl-3-nitro-5-sulfamoylbenzamide is sourced from PubChem (CID 79773474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).