4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide

C13H8F5N3O3S — CID 10643532

IUPAC4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H8F5N3O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(22)21-20-5-1-3-6(4-2-5)25(19,23)24/h1-4,20H,(H,21,22)(H2,19,23,24)
InChIKeyVCLXOPWIQCJANI-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.79
Rot. Bonds4

About 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide

4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide (PubChem CID 10643532) has the molecular formula C13H8F5N3O3S and a molecular weight of 381.28 g/mol. Its IUPAC name is 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide
PubChem CID10643532
Molecular FormulaC13H8F5N3O3S
Molecular Weight381.28 g/mol
Exact Mass381.02
IUPAC Name4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H8F5N3O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(22)21-20-5-1-3-6(4-2-5)25(19,23)24/h1-4,20H,(H,21,22)(H2,19,23,24)
InChIKeyVCLXOPWIQCJANI-UHFFFAOYSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide (CID 10643532) is 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide?
The InChIKey is VCLXOPWIQCJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N3O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(22)21-20-5-1-3-6(4-2-5)25(19,23)24/h1-4,20H,(H,21,22)(H2,19,23,24).
What are the key properties of 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide?
4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,4,5,6-pentafluorobenzoyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 10643532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).