5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C12H14BrN5O2S — CID 63009803

IUPAC5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)cnc2NN)cn1
InChIInChI=1S/C12H14BrN5O2S/c1-8-2-3-9(5-15-8)6-17-21(19,20)11-4-10(13)7-16-12(11)18-14/h2-5,7,17H,6,14H2,1H3,(H,16,18)
InChIKeyQWLJTHICKBETEP-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.31
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 63009803) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID63009803
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)cnc2NN)cn1
InChIInChI=1S/C12H14BrN5O2S/c1-8-2-3-9(5-15-8)6-17-21(19,20)11-4-10(13)7-16-12(11)18-14/h2-5,7,17H,6,14H2,1H3,(H,16,18)
InChIKeyQWLJTHICKBETEP-UHFFFAOYSA-N
XLogP1.31
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.31
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

5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61298529
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
2-amino-5-bromo-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 106491747
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106062661
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106294324
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 63009803) is 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(Br)cnc2NN)cn1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is QWLJTHICKBETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-8-2-3-9(5-15-8)6-17-21(19,20)11-4-10(13)7-16-12(11)18-14/h2-5,7,17H,6,14H2,1H3,(H,16,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 372.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).