N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide

C13H15BrN4O2S — CID 61415653

IUPACN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-13(17-15)16-8-12/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyUCIHHSNCJYHXHS-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.95
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide

N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide (PubChem CID 61415653) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
PubChem CID61415653
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-13(17-15)16-8-12/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyUCIHHSNCJYHXHS-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]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61415701
1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
CID 62246114
6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 63859152
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61414521
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
CID 103060724
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
6-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319842
N-butan-2-yl-N-ethyl-6-hydrazinylpyridine-3-sulfonamide
CID 43274843
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide (CID 61415653) is N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(NN)nc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide?
The InChIKey is UCIHHSNCJYHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-18(9-10-2-4-11(14)5-3-10)21(19,20)12-6-7-13(17-15)16-8-12/h2-8H,9,15H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide?
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-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]-6-hydrazinyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61415653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).