N-but-3-en-2-yl-3-cyanobenzenesulfonamide

C11H12N2O2S — CID 103750108

IUPACN-but-3-en-2-yl-3-cyanobenzenesulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2S/c1-3-9(2)13-16(14,15)11-6-4-5-10(7-11)8-12/h3-7,9,13H,1H2,2H3
InChIKeyRAYBNOQETFPTJA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.41
Rot. Bonds4

About N-but-3-en-2-yl-3-cyanobenzenesulfonamide

N-but-3-en-2-yl-3-cyanobenzenesulfonamide (PubChem CID 103750108) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-cyanobenzenesulfonamide
PubChem CID103750108
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-but-3-en-2-yl-3-cyanobenzenesulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2S/c1-3-9(2)13-16(14,15)11-6-4-5-10(7-11)8-12/h3-7,9,13H,1H2,2H3
InChIKeyRAYBNOQETFPTJA-UHFFFAOYSA-N
XLogP1.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
3-cyano-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854782
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 7510137
3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8795010
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-cyanobenzenesulfonamide?
The IUPAC name of N-but-3-en-2-yl-3-cyanobenzenesulfonamide (CID 103750108) is N-but-3-en-2-yl-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-but-3-en-2-yl-3-cyanobenzenesulfonamide?
The canonical SMILES for N-but-3-en-2-yl-3-cyanobenzenesulfonamide is C=CC(C)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-but-3-en-2-yl-3-cyanobenzenesulfonamide?
The InChIKey is RAYBNOQETFPTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-9(2)13-16(14,15)11-6-4-5-10(7-11)8-12/h3-7,9,13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-3-cyanobenzenesulfonamide?
N-but-3-en-2-yl-3-cyanobenzenesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-cyanobenzenesulfonamide is sourced from PubChem (CID 103750108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).