N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

C14H11ClF3N3O5S2 — CID 2800704

IUPACN'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3N3O5S2/c15-10-2-4-11(5-3-10)28(25,26)21-20-12(22)8-27(23,24)13-6-1-9(7-19-13)14(16,17)18/h1-7,21H,8H2,(H,20,22)
InChIKeyMVBHQUMAEVTCMG-UHFFFAOYSA-N
MW457.84 g/mol
LogP1.54
Rot. Bonds6

About N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide

N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (PubChem CID 2800704) has the molecular formula C14H11ClF3N3O5S2 and a molecular weight of 457.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
PubChem CID2800704
Molecular FormulaC14H11ClF3N3O5S2
Molecular Weight457.84 g/mol
Exact Mass456.98
IUPAC NameN'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3N3O5S2/c15-10-2-4-11(5-3-10)28(25,26)21-20-12(22)8-27(23,24)13-6-1-9(7-19-13)14(16,17)18/h1-7,21H,8H2,(H,20,22)
InChIKeyMVBHQUMAEVTCMG-UHFFFAOYSA-N
XLogP1.54
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.84
LogP ≤ 51.54
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

N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6895975
Pyridine, 2-[2-(4-chlorophenylsulfonyl)ethylthio]-5-trifluoromethyl-
CID 609897
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3594010
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4834371
N-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991864
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991880
2-[(4-Chlorophenyl)sulfonyl]-5-(trifluoromethyl)pyridine
CID 699529
2-[[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
CID 2800690
N'-methylsulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
CID 2800705
N'-[3-(trifluoromethyl)phenyl]sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide
CID 2800707
N-(3-chlorophenyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 2801185

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide (CID 2800704) is N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
The InChIKey is MVBHQUMAEVTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O5S2/c15-10-2-4-11(5-3-10)28(25,26)21-20-12(22)8-27(23,24)13-6-1-9(7-19-13)14(16,17)18/h1-7,21H,8H2,(H,20,22).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide?
N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide has a molecular weight of 457.84 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetohydrazide is sourced from PubChem (CID 2800704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).