N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide

C12H13BrN4O2S — CID 61413876

IUPACN-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN4O2S/c13-11-4-2-1-3-9(11)7-16-20(18,19)10-5-6-12(17-14)15-8-10/h1-6,8,16H,7,14H2,(H,15,17)
InChIKeyRETCXVGWKIMARN-UHFFFAOYSA-N
MW357.23 g/mol
LogP1.61
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide

N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 61413876) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID61413876
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN4O2S/c13-11-4-2-1-3-9(11)7-16-20(18,19)10-5-6-12(17-14)15-8-10/h1-6,8,16H,7,14H2,(H,15,17)
InChIKeyRETCXVGWKIMARN-UHFFFAOYSA-N
XLogP1.61
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 51.61
H-Bond Donors ≤ 53
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

N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61413878
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide (CID 61413876) is N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide is NNc1ccc(S(=O)(=O)NCc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is RETCXVGWKIMARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c13-11-4-2-1-3-9(11)7-16-20(18,19)10-5-6-12(17-14)15-8-10/h1-6,8,16H,7,14H2,(H,15,17).
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61413876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).