N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C16H20N2O2S2 — CID 110759419

IUPACN-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H20N2O2S2/c1-3-18(13-10-14-8-11-17-12-9-14)22(19,20)16-6-4-15(21-2)5-7-16/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyIEBFFCPXCAUHQX-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110759419) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110759419
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H20N2O2S2/c1-3-18(13-10-14-8-11-17-12-9-14)22(19,20)16-6-4-15(21-2)5-7-16/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyIEBFFCPXCAUHQX-UHFFFAOYSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759654
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110755758
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide;dihydrochloride
CID 24846272
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 110755749
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
3-pyridin-4-ylpropyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 78772214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110759419) is N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CCN(CCc1ccncc1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is IEBFFCPXCAUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-3-18(13-10-14-8-11-17-12-9-14)22(19,20)16-6-4-15(21-2)5-7-16/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110759419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).