2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide

C9H12FN3O4S — CID 67167184

IUPAC2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CF
InChIInChI=1S/C9H12FN3O4S/c1-12(2)11-18(16,17)9-5-8(13(14)15)4-3-7(9)6-10/h3-5,11H,6H2,1-2H3
InChIKeyJVZUSOLGSPZHIV-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.82
Rot. Bonds5

About 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide

2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide (PubChem CID 67167184) has the molecular formula C9H12FN3O4S and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide
PubChem CID67167184
Molecular FormulaC9H12FN3O4S
Molecular Weight277.28 g/mol
Exact Mass277.05
IUPAC Name2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CF
InChIInChI=1S/C9H12FN3O4S/c1-12(2)11-18(16,17)9-5-8(13(14)15)4-3-7(9)6-10/h3-5,11H,6H2,1-2H3
InChIKeyJVZUSOLGSPZHIV-UHFFFAOYSA-N
XLogP0.82
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide?
The IUPAC name of 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide (CID 67167184) is 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide.
What is the SMILES notation for 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide?
The canonical SMILES for 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CF.
What is the InChIKey of 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide?
The InChIKey is JVZUSOLGSPZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4S/c1-12(2)11-18(16,17)9-5-8(13(14)15)4-3-7(9)6-10/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide?
2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide has a molecular weight of 277.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N',N'-dimethyl-5-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 67167184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).