2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide

C14H21N3O2S — CID 103836681

IUPAC2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H21N3O2S/c1-3-10-17(4-2)11-9-16-20(18,19)14-8-6-5-7-13(14)12-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBIQFUDGULAYMDL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.57
Rot. Bonds8

About 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide

2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide (PubChem CID 103836681) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
PubChem CID103836681
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H21N3O2S/c1-3-10-17(4-2)11-9-16-20(18,19)14-8-6-5-7-13(14)12-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBIQFUDGULAYMDL-UHFFFAOYSA-N
XLogP1.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 106833437
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110359602
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247
2-amino-3-[2-[ethyl(propyl)amino]ethylamino]benzonitrile
CID 114133065

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide (CID 103836681) is 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide is CCCN(CC)CCNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide?
The InChIKey is BIQFUDGULAYMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-10-17(4-2)11-9-16-20(18,19)14-8-6-5-7-13(14)12-15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide?
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103836681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).