N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide

C13H17F3N2O3S — CID 154503973

IUPACN'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCC(=O)NN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)8-18(17-10(3)19)22(20,21)12-6-4-5-11(7-12)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyUOZMJGQEEKIUJA-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.40
Rot. Bonds5

About N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide

N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide (PubChem CID 154503973) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
PubChem CID154503973
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESCC(=O)NN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)8-18(17-10(3)19)22(20,21)12-6-4-5-11(7-12)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyUOZMJGQEEKIUJA-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3463406
[2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 71956619
N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5046108
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42999407
N-(2-methylpropyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzenesulfonamide
CID 89297581
[4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3462061
methyl 3-[2-methylpropyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanoate
CID 56549141
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide (CID 154503973) is N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide is CC(=O)NN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The InChIKey is UOZMJGQEEKIUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-9(2)8-18(17-10(3)19)22(20,21)12-6-4-5-11(7-12)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide has a molecular weight of 338.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 154503973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).