N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide

C10H9BrFN5O2S — CID 65436383

IUPACN-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C10H9BrFN5O2S/c11-8-2-1-6(3-9(8)12)17-20(18,19)7-4-14-10(16-13)15-5-7/h1-5,17H,13H2,(H,14,15,16)
InChIKeyXWEVBPSKFZDOIH-UHFFFAOYSA-N
MW362.18 g/mol
LogP1.46
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 65436383) has the molecular formula C10H9BrFN5O2S and a molecular weight of 362.18 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID65436383
Molecular FormulaC10H9BrFN5O2S
Molecular Weight362.18 g/mol
Exact Mass360.96
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C10H9BrFN5O2S/c11-8-2-1-6(3-9(8)12)17-20(18,19)7-4-14-10(16-13)15-5-7/h1-5,17H,13H2,(H,14,15,16)
InChIKeyXWEVBPSKFZDOIH-UHFFFAOYSA-N
XLogP1.46
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 65436383) is N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cn1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is XWEVBPSKFZDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN5O2S/c11-8-2-1-6(3-9(8)12)17-20(18,19)7-4-14-10(16-13)15-5-7/h1-5,17H,13H2,(H,14,15,16).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 362.18 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 65436383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).