N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide

C11H9F2N3O3S — CID 8842495

IUPACN'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc[nH]1
InChIInChI=1S/C11H9F2N3O3S/c12-7-3-4-8(13)10(6-7)20(18,19)16-15-11(17)9-2-1-5-14-9/h1-6,14,16H,(H,15,17)
InChIKeyUPPWTTUNENIGES-UHFFFAOYSA-N
MW301.27 g/mol
LogP0.92
Rot. Bonds4

About N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide

N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 8842495) has the molecular formula C11H9F2N3O3S and a molecular weight of 301.27 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID8842495
Molecular FormulaC11H9F2N3O3S
Molecular Weight301.27 g/mol
Exact Mass301.03
IUPAC NameN'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc[nH]1
InChIInChI=1S/C11H9F2N3O3S/c12-7-3-4-8(13)10(6-7)20(18,19)16-15-11(17)9-2-1-5-14-9/h1-6,14,16H,(H,15,17)
InChIKeyUPPWTTUNENIGES-UHFFFAOYSA-N
XLogP0.92
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide (CID 8842495) is N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide is O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc[nH]1.
What is the InChIKey of N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is UPPWTTUNENIGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3S/c12-7-3-4-8(13)10(6-7)20(18,19)16-15-11(17)9-2-1-5-14-9/h1-6,14,16H,(H,15,17).
What are the key properties of N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide?
N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 301.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).