5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide

C12H19BrN4O2S — CID 63656152

IUPAC5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-6-10(13)7-15-12(11)16-14/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyWUTMKTDPLLHIIW-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.94
Rot. Bonds5

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

5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide (PubChem CID 63656152) has the molecular formula C12H19BrN4O2S and a molecular weight of 363.28 g/mol. Its IUPAC name is 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
PubChem CID63656152
Molecular FormulaC12H19BrN4O2S
Molecular Weight363.28 g/mol
Exact Mass362.04
IUPAC Name5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-6-10(13)7-15-12(11)16-14/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyWUTMKTDPLLHIIW-UHFFFAOYSA-N
XLogP1.94
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.94
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-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-2-hydrazinyl-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 61299318
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide (CID 63656152) is 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The InChIKey is WUTMKTDPLLHIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2S/c1-17(8-9-4-2-3-5-9)20(18,19)11-6-10(13)7-15-12(11)16-14/h6-7,9H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 63656152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).