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

C12H19BrN4O3S — CID 102632674

IUPAC5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O3S/c1-17(9-4-2-3-5-10(9)18)21(19,20)11-6-8(13)7-15-12(11)16-14/h6-7,9-10,18H,2-5,14H2,1H3,(H,15,16)
InChIKeyKTMRYRNVXWJROF-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.05
Rot. Bonds4

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

5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide (PubChem CID 102632674) has the molecular formula C12H19BrN4O3S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
PubChem CID102632674
Molecular FormulaC12H19BrN4O3S
Molecular Weight379.28 g/mol
Exact Mass378.04
IUPAC Name5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O3S/c1-17(9-4-2-3-5-10(9)18)21(19,20)11-6-8(13)7-15-12(11)16-14/h6-7,9-10,18H,2-5,14H2,1H3,(H,15,16)
InChIKeyKTMRYRNVXWJROF-UHFFFAOYSA-N
XLogP1.05
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.05
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'}

Analyze 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62159209
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide (CID 102632674) is 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KTMRYRNVXWJROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O3S/c1-17(9-4-2-3-5-10(9)18)21(19,20)11-6-8(13)7-15-12(11)16-14/h6-7,9-10,18H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 379.28 g/mol, XLogP of 1.05, 4 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-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 102632674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).