N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide

C17H23NO2S2 — CID 101025089

IUPACN,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCCc2ccsc2)cc1
InChIInChI=1S/C17H23NO2S2/c1-3-18(4-2)22(19,20)17-10-8-15(9-11-17)6-5-7-16-12-13-21-14-16/h8-14H,3-7H2,1-2H3
InChIKeyZKKZAUAFJZQDDK-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.95
Rot. Bonds8

About N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide

N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide (PubChem CID 101025089) has the molecular formula C17H23NO2S2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
PubChem CID101025089
Molecular FormulaC17H23NO2S2
Molecular Weight337.51 g/mol
Exact Mass337.12
IUPAC NameN,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCCc2ccsc2)cc1
InChIInChI=1S/C17H23NO2S2/c1-3-18(4-2)22(19,20)17-10-8-15(9-11-17)6-5-7-16-12-13-21-14-16/h8-14H,3-7H2,1-2H3
InChIKeyZKKZAUAFJZQDDK-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
CID 101025085
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
CID 55370603
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55922761
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
3-heptylthiophene;3-hexylthiophene
CID 159152668
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
4-thiophen-3-ylbutanoate
CID 86324435

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide (CID 101025089) is N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCCc2ccsc2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide?
The InChIKey is ZKKZAUAFJZQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S2/c1-3-18(4-2)22(19,20)17-10-8-15(9-11-17)6-5-7-16-12-13-21-14-16/h8-14H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide?
N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide has a molecular weight of 337.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 101025089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).