2-but-3-enyl-4-methylbenzenesulfonamide

C11H15NO2S — CID 175817922

IUPAC2-but-3-enyl-4-methylbenzenesulfonamide
SMILESC=CCCc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-3-4-5-10-8-9(2)6-7-11(10)15(12,13)14/h3,6-8H,1,4-5H2,2H3,(H2,12,13,14)
InChIKeyMQRSNBJUWUWIOG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.76
Rot. Bonds4

About 2-but-3-enyl-4-methylbenzenesulfonamide

2-but-3-enyl-4-methylbenzenesulfonamide (PubChem CID 175817922) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-but-3-enyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-but-3-enyl-4-methylbenzenesulfonamide
PubChem CID175817922
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-but-3-enyl-4-methylbenzenesulfonamide
SMILESC=CCCc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-3-4-5-10-8-9(2)6-7-11(10)15(12,13)14/h3,6-8H,1,4-5H2,2H3,(H2,12,13,14)
InChIKeyMQRSNBJUWUWIOG-UHFFFAOYSA-N
XLogP1.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985871
2-pent-4-enylbenzenesulfonamide
CID 153312111
2-but-3-enyl-1-isocyano-4-methylbenzene
CID 121010130
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985841
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
[4-methyl-2-[2-(5-methyl-2-oxidosulfonothioylphenyl)ethyl]phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 21115364
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
CID 11379736
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855
3-but-3-enyl-2,5-dimethylpyridine
CID 143845361

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-4-methylbenzenesulfonamide?
The IUPAC name of 2-but-3-enyl-4-methylbenzenesulfonamide (CID 175817922) is 2-but-3-enyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-but-3-enyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2-but-3-enyl-4-methylbenzenesulfonamide is C=CCCc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 2-but-3-enyl-4-methylbenzenesulfonamide?
The InChIKey is MQRSNBJUWUWIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-4-5-10-8-9(2)6-7-11(10)15(12,13)14/h3,6-8H,1,4-5H2,2H3,(H2,12,13,14).
What are the key properties of 2-but-3-enyl-4-methylbenzenesulfonamide?
2-but-3-enyl-4-methylbenzenesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 175817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).