3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide

C14H20N2O3S — CID 171138583

IUPAC3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C#N
InChIInChI=1S/C14H20N2O3S/c1-4-9-19-14-8-7-13(10-12(14)11-15)20(17,18)16(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYKAZRIGCARDUSV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.38
Rot. Bonds7

About 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide

3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide (PubChem CID 171138583) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
PubChem CID171138583
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C#N
InChIInChI=1S/C14H20N2O3S/c1-4-9-19-14-8-7-13(10-12(14)11-15)20(17,18)16(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYKAZRIGCARDUSV-UHFFFAOYSA-N
XLogP2.38
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
CID 171134204
2-butoxy-4-methylsulfonylbenzonitrile
CID 59169933
5-dioxidoboranyloxy-2-propoxybenzonitrile
CID 86756813
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
(3-cyano-4-propoxyphenyl)boronic acid
CID 53439493
3-chloro-4-cyano-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 112686413
4-propylsulfonylbenzene-1,2-dicarbonitrile
CID 91807711
(4-cyano-2-ethoxyphenyl) 4-(diethylsulfamoyl)benzoate
CID 8800071
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 171134147
3-cyano-N-[3-(3-methoxyphenyl)propyl]-4-propoxybenzenesulfonamide
CID 171134203
ethyl 2-[(3-cyano-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 63239313

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide?
The IUPAC name of 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide (CID 171138583) is 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide?
The canonical SMILES for 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C#N.
What is the InChIKey of 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide?
The InChIKey is YKAZRIGCARDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-9-19-14-8-7-13(10-12(14)11-15)20(17,18)16(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide?
3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 171138583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).