4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

C12H11BrFN3O3S — CID 17433858

IUPAC4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H11BrFN3O3S/c1-17-7-8(13)6-10(17)12(18)15-16-21(19,20)11-5-3-2-4-9(11)14/h2-7,16H,1H3,(H,15,18)
InChIKeyWTCIZOYTCZQAMO-UHFFFAOYSA-N
MW376.21 g/mol
LogP1.55
Rot. Bonds4

About 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (PubChem CID 17433858) has the molecular formula C12H11BrFN3O3S and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
PubChem CID17433858
Molecular FormulaC12H11BrFN3O3S
Molecular Weight376.21 g/mol
Exact Mass374.97
IUPAC Name4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H11BrFN3O3S/c1-17-7-8(13)6-10(17)12(18)15-16-21(19,20)11-5-3-2-4-9(11)14/h2-7,16H,1H3,(H,15,18)
InChIKeyWTCIZOYTCZQAMO-UHFFFAOYSA-N
XLogP1.55
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (CID 17433858) is 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The InChIKey is WTCIZOYTCZQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O3S/c1-17-7-8(13)6-10(17)12(18)15-16-21(19,20)11-5-3-2-4-9(11)14/h2-7,16H,1H3,(H,15,18).
What are the key properties of 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide has a molecular weight of 376.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 17433858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).