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

C12H8ClF3N4O4S — CID 4856169

IUPAC4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C12H8ClF3N4O4S/c13-9-3-2-8(5-10(9)20(21)22)25(23,24)19-18-11-4-1-7(6-17-11)12(14,15)16/h1-6,19H,(H,17,18)
InChIKeyZGWYMEYEGPWWMY-UHFFFAOYSA-N
MW396.73 g/mol
LogP2.97
Rot. Bonds5

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

4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 4856169) has the molecular formula C12H8ClF3N4O4S and a molecular weight of 396.73 g/mol. Its IUPAC name is 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID4856169
Molecular FormulaC12H8ClF3N4O4S
Molecular Weight396.73 g/mol
Exact Mass395.99
IUPAC Name4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C12H8ClF3N4O4S/c13-9-3-2-8(5-10(9)20(21)22)25(23,24)19-18-11-4-1-7(6-17-11)12(14,15)16/h1-6,19H,(H,17,18)
InChIKeyZGWYMEYEGPWWMY-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)-2-pyridinyl]benzenesulfonohydrazide
CID 4851242
2,5-dichloro-N'-{5-nitro-2-pyridinyl}benzenesulfonohydrazide
CID 7230554
4-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 139196524
N-(5-chloropyridin-2-yl)-3-nitrobenzenesulfonamide
CID 2886168
2-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butyl]-5-nitrobenzenesulfonamide
CID 23151790
2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-nitrobenzenesulfonamide
CID 23151803
2-chloro-N-[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-5-nitrobenzenesulfonamide
CID 23152101
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-nitrophenyl)hydrazine
CID 141438332
4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 2858305
1-Amino-2-(benzenesulfonyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]guanidine
CID 3824235
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4367273
N-[{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}(hydrazino)methylene]benzenesulfonamide
CID 6346280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 4856169) is 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is O=[N+]([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is ZGWYMEYEGPWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O4S/c13-9-3-2-8(5-10(9)20(21)22)25(23,24)19-18-11-4-1-7(6-17-11)12(14,15)16/h1-6,19H,(H,17,18).
What are the key properties of 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide 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 4-chloro-3-nitro-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 4856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).