5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide

C12H14BrN5O2S — CID 61299506

IUPAC5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1NN)c1ccccn1
InChIInChI=1S/C12H14BrN5O2S/c1-8(10-4-2-3-5-15-10)18-21(19,20)11-6-9(13)7-16-12(11)17-14/h2-8,18H,14H2,1H3,(H,16,17)
InChIKeyPXJHGPYFZFXLCU-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.56
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 61299506) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
PubChem CID61299506
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1NN)c1ccccn1
InChIInChI=1S/C12H14BrN5O2S/c1-8(10-4-2-3-5-15-10)18-21(19,20)11-6-9(13)7-16-12(11)17-14/h2-8,18H,14H2,1H3,(H,16,17)
InChIKeyPXJHGPYFZFXLCU-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 61480970
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide (CID 61299506) is 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1NN)c1ccccn1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is PXJHGPYFZFXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-8(10-4-2-3-5-15-10)18-21(19,20)11-6-9(13)7-16-12(11)17-14/h2-8,18H,14H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 372.25 g/mol, XLogP of 1.56, 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-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).