5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide

C11H17BrN4O2S — CID 61299703

IUPAC5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C11H17BrN4O2S/c1-7(8-3-4-8)16(2)19(17,18)10-5-9(12)6-14-11(10)15-13/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBDXTXTXYEHXXEF-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.55
Rot. Bonds5

About 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide

5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide (PubChem CID 61299703) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
PubChem CID61299703
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C11H17BrN4O2S/c1-7(8-3-4-8)16(2)19(17,18)10-5-9(12)6-14-11(10)15-13/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBDXTXTXYEHXXEF-UHFFFAOYSA-N
XLogP1.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106836374
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide (CID 61299703) is 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The InChIKey is BDXTXTXYEHXXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c1-7(8-3-4-8)16(2)19(17,18)10-5-9(12)6-14-11(10)15-13/h5-8H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61299703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).