2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C14H14F3N3O4S — CID 8505651

IUPAC2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H14F3N3O4S/c1-23-10-4-5-11(24-2)12(7-10)25(21,22)20-19-13-6-3-9(8-18-13)14(15,16)17/h3-8,20H,1-2H3,(H,18,19)
InChIKeyGDGGWXMUPGOXQD-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.42
Rot. Bonds6

About 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 8505651) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID8505651
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC Name2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H14F3N3O4S/c1-23-10-4-5-11(24-2)12(7-10)25(21,22)20-19-13-6-3-9(8-18-13)14(15,16)17/h3-8,20H,1-2H3,(H,18,19)
InChIKeyGDGGWXMUPGOXQD-UHFFFAOYSA-N
XLogP2.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 18148096
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628
2-bromo-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505642
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
CID 52988857

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 8505651) is 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is COc1ccc(OC)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is GDGGWXMUPGOXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-23-10-4-5-11(24-2)12(7-10)25(21,22)20-19-13-6-3-9(8-18-13)14(15,16)17/h3-8,20H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 377.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 8505651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).