N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide

C17H22N2O2S2 — CID 40664051

IUPACN,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C)cc2)nc1
InChIInChI=1S/C17H22N2O2S2/c1-4-19(5-2)23(20,21)16-10-11-17(18-12-16)22-13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3
InChIKeyBUKJEGYQTLIATB-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.71
Rot. Bonds7

About N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 40664051) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
PubChem CID40664051
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C)cc2)nc1
InChIInChI=1S/C17H22N2O2S2/c1-4-19(5-2)23(20,21)16-10-11-17(18-12-16)22-13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3
InChIKeyBUKJEGYQTLIATB-UHFFFAOYSA-N
XLogP3.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
6-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 24675184
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 30028354
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
CID 39529079
6-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 46814882
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
3-[4-amino-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 2547196

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide (CID 40664051) is N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C)cc2)nc1.
What is the InChIKey of N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is BUKJEGYQTLIATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-4-19(5-2)23(20,21)16-10-11-17(18-12-16)22-13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 40664051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).