N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide

C17H19F3N4O2S — CID 4539634

IUPACN,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2S/c1-3-24(4-2)27(25,26)14-9-10-16(21-12-14)23-22-11-13-7-5-6-8-15(13)17(18,19)20/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyRWSDBEUOHPCDOK-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.58
Rot. Bonds7

About N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 4539634) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID4539634
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC NameN,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2S/c1-3-24(4-2)27(25,26)14-9-10-16(21-12-14)23-22-11-13-7-5-6-8-15(13)17(18,19)20/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyRWSDBEUOHPCDOK-UHFFFAOYSA-N
XLogP3.58
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.58
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

6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124
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
6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 3299121
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide (CID 4539634) is N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is RWSDBEUOHPCDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-3-24(4-2)27(25,26)14-9-10-16(21-12-14)23-22-11-13-7-5-6-8-15(13)17(18,19)20/h5-12H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 400.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 4539634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).