2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide

C12H16N2O2S2 — CID 113318745

IUPAC2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O2S2/c1-3-17-9-10(2)14-18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10,14H,3,9H2,1-2H3
InChIKeyIUCAQWSQIXQYQQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.98
Rot. Bonds6

About 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide

2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 113318745) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID113318745
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H16N2O2S2/c1-3-17-9-10(2)14-18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10,14H,3,9H2,1-2H3
InChIKeyIUCAQWSQIXQYQQ-UHFFFAOYSA-N
XLogP1.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
3-cyano-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 115662785
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide (CID 113318745) is 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide is CCSCC(C)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is IUCAQWSQIXQYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-3-17-9-10(2)14-18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10,14H,3,9H2,1-2H3.
What are the key properties of 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 284.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113318745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).