N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide

C9H9F5N2O4S — CID 58136777

IUPACN-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H9F5N2O4S/c1-15(20-2)9(17)6-3-7(16(18)19)5-8(4-6)21(10,11,12,13)14/h3-5H,1-2H3
InChIKeyQZBWQVXBRYIFCC-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.89
Rot. Bonds4

About N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide

N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 58136777) has the molecular formula C9H9F5N2O4S and a molecular weight of 336.24 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID58136777
Molecular FormulaC9H9F5N2O4S
Molecular Weight336.24 g/mol
Exact Mass336.02
IUPAC NameN-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H9F5N2O4S/c1-15(20-2)9(17)6-3-7(16(18)19)5-8(4-6)21(10,11,12,13)14/h3-5H,1-2H3
InChIKeyQZBWQVXBRYIFCC-UHFFFAOYSA-N
XLogP3.89
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-methoxy-N,N-dimethyl-5-nitrobenzamide
CID 59352996
4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium
CID 162020244
N-(2,2-dimethoxyethyl)-N-methyl-3,5-dinitrobenzamide
CID 3422148
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996
3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 18129571
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
N-(1-bromopropan-2-yl)-3-fluoro-N-methyl-5-nitrobenzamide
CID 104556115
N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 155103176
(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
CID 134907476

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 58136777) is N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide is CON(C)C(=O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is QZBWQVXBRYIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O4S/c1-15(20-2)9(17)6-3-7(16(18)19)5-8(4-6)21(10,11,12,13)14/h3-5H,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide?
N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 336.24 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 58136777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).