N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide

C18H22N2O2S2 — CID 40664198

IUPACN,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC/C=C/c2ccccc2)nc1
InChIInChI=1S/C18H22N2O2S2/c1-3-20(4-2)24(21,22)17-12-13-18(19-15-17)23-14-8-11-16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3/b11-8+
InChIKeyRADHGYCMFPYKQY-DHZHZOJOSA-N
MW362.52 g/mol
LogP3.92
Rot. Bonds8

About N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide

N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide (PubChem CID 40664198) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
PubChem CID40664198
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC/C=C/c2ccccc2)nc1
InChIInChI=1S/C18H22N2O2S2/c1-3-20(4-2)24(21,22)17-12-13-18(19-15-17)23-14-8-11-16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3/b11-8+
InChIKeyRADHGYCMFPYKQY-DHZHZOJOSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
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-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
CID 55503258
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 24589582
N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 94466822

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide (CID 40664198) is N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(SC/C=C/c2ccccc2)nc1.
What is the InChIKey of N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide?
The InChIKey is RADHGYCMFPYKQY-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-3-20(4-2)24(21,22)17-12-13-18(19-15-17)23-14-8-11-16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3/b11-8+.
What are the key properties of N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide?
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide has a molecular weight of 362.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 40664198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).