N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide

C13H15BrN4O2S — CID 61415701

IUPACN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-16-13(8-12)17-15/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyCIZCRQWXRYENLZ-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.95
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide

N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide (PubChem CID 61415701) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
PubChem CID61415701
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-16-13(8-12)17-15/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyCIZCRQWXRYENLZ-UHFFFAOYSA-N
XLogP1.95
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.95
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

N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61415653
2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide
CID 61411825
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 64518479
2-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 61003232
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
2-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-4-sulfonamide
CID 61003129
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide (CID 61415701) is N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccnc(NN)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The InChIKey is CIZCRQWXRYENLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-16-13(8-12)17-15/h2-8H,9,15H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide has a molecular weight of 371.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61415701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).