5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

C10H15BrN4O3S — CID 54995023

IUPAC5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C10H15BrN4O3S/c11-7-5-9(10(14-12)13-6-7)19(17,18)15(3-4-16)8-1-2-8/h5-6,8,16H,1-4,12H2,(H,13,14)
InChIKeyQUULULQKDBEOQN-UHFFFAOYSA-N
MW351.23 g/mol
LogP0.28
Rot. Bonds6

About 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 54995023) has the molecular formula C10H15BrN4O3S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID54995023
Molecular FormulaC10H15BrN4O3S
Molecular Weight351.23 g/mol
Exact Mass350.00
IUPAC Name5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C10H15BrN4O3S/c11-7-5-9(10(14-12)13-6-7)19(17,18)15(3-4-16)8-1-2-8/h5-6,8,16H,1-4,12H2,(H,13,14)
InChIKeyQUULULQKDBEOQN-UHFFFAOYSA-N
XLogP0.28
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 50.28
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (CID 54995023) is 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is QUULULQKDBEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3S/c11-7-5-9(10(14-12)13-6-7)19(17,18)15(3-4-16)8-1-2-8/h5-6,8,16H,1-4,12H2,(H,13,14).
What are the key properties of 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 351.23 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 54995023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).