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

C10H9BrFN5O2S — CID 61328919

IUPACN-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C10H9BrFN5O2S/c11-6-1-2-8(12)9(3-6)17-20(18,19)7-4-14-10(16-13)15-5-7/h1-5,17H,13H2,(H,14,15,16)
InChIKeyXJAOBNLBLZEPAP-UHFFFAOYSA-N
MW362.18 g/mol
LogP1.46
Rot. Bonds4

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

N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 61328919) has the molecular formula C10H9BrFN5O2S and a molecular weight of 362.18 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID61328919
Molecular FormulaC10H9BrFN5O2S
Molecular Weight362.18 g/mol
Exact Mass360.96
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C10H9BrFN5O2S/c11-6-1-2-8(12)9(3-6)17-20(18,19)7-4-14-10(16-13)15-5-7/h1-5,17H,13H2,(H,14,15,16)
InChIKeyXJAOBNLBLZEPAP-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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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 102854113
N-(2,4-dibromophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61477635
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
5-[(5-bromo-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614162
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
5-chloro-N-(5-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608935
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 61328919) is N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is XJAOBNLBLZEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN5O2S/c11-6-1-2-8(12)9(3-6)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-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61328919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).