N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide

C13H13F3N2O3S — CID 126114857

IUPACN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide
SMILESO=C(C1=C(NNS(=O)(=O)c2ccccc2)CCC1)C(F)(F)F
InChIInChI=1S/C13H13F3N2O3S/c14-13(15,16)12(19)10-7-4-8-11(10)17-18-22(20,21)9-5-2-1-3-6-9/h1-3,5-6,17-18H,4,7-8H2
InChIKeyUZQWYEGQKGMIAH-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.04
Rot. Bonds5

About N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide (PubChem CID 126114857) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide
PubChem CID126114857
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide
SMILESO=C(C1=C(NNS(=O)(=O)c2ccccc2)CCC1)C(F)(F)F
InChIInChI=1S/C13H13F3N2O3S/c14-13(15,16)12(19)10-7-4-8-11(10)17-18-22(20,21)9-5-2-1-3-6-9/h1-3,5-6,17-18H,4,7-8H2
InChIKeyUZQWYEGQKGMIAH-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide?
The IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide (CID 126114857) is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide is O=C(C1=C(NNS(=O)(=O)c2ccccc2)CCC1)C(F)(F)F.
What is the InChIKey of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide?
The InChIKey is UZQWYEGQKGMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c14-13(15,16)12(19)10-7-4-8-11(10)17-18-22(20,21)9-5-2-1-3-6-9/h1-3,5-6,17-18H,4,7-8H2.
What are the key properties of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide?
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide has a molecular weight of 334.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzenesulfonohydrazide is sourced from PubChem (CID 126114857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).