N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide

C18H22N4O2S — CID 18205744

IUPACN,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2)nc1
InChIInChI=1S/C18H22N4O2S/c1-3-22(4-2)25(23,24)17-12-13-18(19-15-17)21-20-14-8-11-16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,19,21)/b11-8+,20-14+
InChIKeyURKMEYNGTQWQAQ-BTXLNPSKSA-N
MW358.47 g/mol
LogP3.22
Rot. Bonds8

About N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 18205744) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID18205744
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2)nc1
InChIInChI=1S/C18H22N4O2S/c1-3-22(4-2)25(23,24)17-12-13-18(19-15-17)21-20-14-8-11-16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,19,21)/b11-8+,20-14+
InChIKeyURKMEYNGTQWQAQ-BTXLNPSKSA-N
XLogP3.22
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.22
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-cinnamylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 73423868
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
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
6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide (CID 18205744) is N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is URKMEYNGTQWQAQ-BTXLNPSKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-22(4-2)25(23,24)17-12-13-18(19-15-17)21-20-14-8-11-16-9-6-5-7-10-16/h5-15H,3-4H2,1-2H3,(H,19,21)/b11-8+,20-14+.
What are the key properties of N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 358.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 18205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).