3-cyano-4-ethoxy-N-propylbenzenesulfonamide

C12H16N2O3S — CID 171134169

IUPAC3-cyano-4-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(OCC)c(C#N)c1
InChIInChI=1S/C12H16N2O3S/c1-3-7-14-18(15,16)11-5-6-12(17-4-2)10(8-11)9-13/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyPXCYJODIJHUVNJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.65
Rot. Bonds6

About 3-cyano-4-ethoxy-N-propylbenzenesulfonamide

3-cyano-4-ethoxy-N-propylbenzenesulfonamide (PubChem CID 171134169) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-cyano-4-ethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-ethoxy-N-propylbenzenesulfonamide
PubChem CID171134169
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-cyano-4-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(OCC)c(C#N)c1
InChIInChI=1S/C12H16N2O3S/c1-3-7-14-18(15,16)11-5-6-12(17-4-2)10(8-11)9-13/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyPXCYJODIJHUVNJ-UHFFFAOYSA-N
XLogP1.65
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
3-cyano-N-[3-(3-methoxyphenyl)propyl]-4-propoxybenzenesulfonamide
CID 171134203
2-ethoxy-4-methylsulfonylbenzonitrile
CID 59169927
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
CID 171134204
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
4-cyano-3-ethoxybenzenesulfonamide
CID 5021737
3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 171134139

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-ethoxy-N-propylbenzenesulfonamide?
The IUPAC name of 3-cyano-4-ethoxy-N-propylbenzenesulfonamide (CID 171134169) is 3-cyano-4-ethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-ethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 3-cyano-4-ethoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(OCC)c(C#N)c1.
What is the InChIKey of 3-cyano-4-ethoxy-N-propylbenzenesulfonamide?
The InChIKey is PXCYJODIJHUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-7-14-18(15,16)11-5-6-12(17-4-2)10(8-11)9-13/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 3-cyano-4-ethoxy-N-propylbenzenesulfonamide?
3-cyano-4-ethoxy-N-propylbenzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-ethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 171134169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).