N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide

C14H20N2O2S — CID 64592151

IUPACN-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
SMILESCCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC
InChIInChI=1S/C14H20N2O2S/c1-3-9-16(19(17,18)10-4-2)12-14-7-5-13(11-15)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyOEEVABLUXUBTFX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide

N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide (PubChem CID 64592151) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
PubChem CID64592151
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
SMILESCCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC
InChIInChI=1S/C14H20N2O2S/c1-3-9-16(19(17,18)10-4-2)12-14-7-5-13(11-15)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyOEEVABLUXUBTFX-UHFFFAOYSA-N
XLogP2.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 63666805
1-bromo-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 83084263
N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide
CID 136546172
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
3-chloro-N-[(4-methylphenyl)methyl]-N-propylpropane-1-sulfonamide
CID 54877398
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
1-chloro-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 63666179
1-bromo-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 83083709

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide (CID 64592151) is N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide is CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide?
The InChIKey is OEEVABLUXUBTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-9-16(19(17,18)10-4-2)12-14-7-5-13(11-15)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide?
N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 64592151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).