6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

C16H19BrN4O2S — CID 42996124

IUPAC6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H19BrN4O2S/c1-3-21(4-2)24(22,23)15-9-10-16(18-12-15)20-19-11-13-5-7-14(17)8-6-13/h5-12H,3-4H2,1-2H3,(H,18,20)/b19-11+
InChIKeyOUKDIEBRDOIJIQ-YBFXNURJSA-N
MW411.33 g/mol
LogP3.32
Rot. Bonds7

About 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 42996124) has the molecular formula C16H19BrN4O2S and a molecular weight of 411.33 g/mol. Its IUPAC name is 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID42996124
Molecular FormulaC16H19BrN4O2S
Molecular Weight411.33 g/mol
Exact Mass410.04
IUPAC Name6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H19BrN4O2S/c1-3-21(4-2)24(22,23)15-9-10-16(18-12-15)20-19-11-13-5-7-14(17)8-6-13/h5-12H,3-4H2,1-2H3,(H,18,20)/b19-11+
InChIKeyOUKDIEBRDOIJIQ-YBFXNURJSA-N
XLogP3.32
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
6-(2-cinnamylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 73423868
N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
CID 18205744
N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4539634
6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 3299121
[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 4968126
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (CID 42996124) is 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(Br)cc2)nc1.
What is the InChIKey of 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is OUKDIEBRDOIJIQ-YBFXNURJSA-N. The full InChI is InChI=1S/C16H19BrN4O2S/c1-3-21(4-2)24(22,23)15-9-10-16(18-12-15)20-19-11-13-5-7-14(17)8-6-13/h5-12H,3-4H2,1-2H3,(H,18,20)/b19-11+.
What are the key properties of 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 411.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 42996124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).