N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide

C12H8ClF3N4O4S — CID 8523466

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H8ClF3N4O4S/c13-10-5-7(12(14,15)16)6-17-11(10)18-19-25(23,24)9-3-1-8(2-4-9)20(21)22/h1-6,19H,(H,17,18)
InChIKeyYWYSVFIUUJHMKM-UHFFFAOYSA-N
MW396.73 g/mol
LogP2.97
Rot. Bonds5

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide (PubChem CID 8523466) has the molecular formula C12H8ClF3N4O4S and a molecular weight of 396.73 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide
PubChem CID8523466
Molecular FormulaC12H8ClF3N4O4S
Molecular Weight396.73 g/mol
Exact Mass395.99
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H8ClF3N4O4S/c13-10-5-7(12(14,15)16)6-17-11(10)18-19-25(23,24)9-3-1-8(2-4-9)20(21)22/h1-6,19H,(H,17,18)
InChIKeyYWYSVFIUUJHMKM-UHFFFAOYSA-N
XLogP2.97
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
CID 4851243
4-Nitrobenzenesulfonic acid 2-(3-nitro-2-pyridinyl)hydrazide
CID 5052243
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4851242
2,5-dichloro-N'-{5-nitro-2-pyridinyl}benzenesulfonohydrazide
CID 7230554
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide
CID 1476864
4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylbenzenesulfonohydrazide
CID 1487239
4-amino-N-(5-chloro-3-methyl-2-pyridinyl)benzenesulfonamide
CID 44370829
N-(5-chloropyridin-2-yl)-3-nitrobenzenesulfonamide
CID 2886168
2-chloro-5-(trifluoromethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4856163
4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4856169
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 2741629
2-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butyl]-5-nitrobenzenesulfonamide
CID 23151790

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide (CID 8523466) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide is O=[N+]([O-])c1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide?
The InChIKey is YWYSVFIUUJHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O4S/c13-10-5-7(12(14,15)16)6-17-11(10)18-19-25(23,24)9-3-1-8(2-4-9)20(21)22/h1-6,19H,(H,17,18).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide has a molecular weight of 396.73 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 8523466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).