4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C13H11F3N4O5S — CID 18148096

IUPAC4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11F3N4O5S/c1-25-9-3-4-11(10(6-9)20(21)22)26(23,24)19-18-12-5-2-8(7-17-12)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyNTRBLIMPZWPGBD-UHFFFAOYSA-N
MW392.32 g/mol
LogP2.32
Rot. Bonds6

About 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 18148096) has the molecular formula C13H11F3N4O5S and a molecular weight of 392.32 g/mol. Its IUPAC name is 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID18148096
Molecular FormulaC13H11F3N4O5S
Molecular Weight392.32 g/mol
Exact Mass392.04
IUPAC Name4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11F3N4O5S/c1-25-9-3-4-11(10(6-9)20(21)22)26(23,24)19-18-12-5-2-8(7-17-12)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyNTRBLIMPZWPGBD-UHFFFAOYSA-N
XLogP2.32
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505651
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628
4-methoxy-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 31068808
[3-(trifluoromethyl)phenyl] 4-methoxy-2-nitrobenzenesulfonate
CID 31065601
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 104858875
2-bromo-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505642
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
N-[(2-fluorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 31068793

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 18148096) is 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is COc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is NTRBLIMPZWPGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O5S/c1-25-9-3-4-11(10(6-9)20(21)22)26(23,24)19-18-12-5-2-8(7-17-12)13(14,15)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 392.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 18148096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).