2,4-dimethyl-N-prop-2-enylbenzenesulfonamide

C11H15NO2S — CID 19681800

IUPAC2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO2S/c1-4-7-12-15(13,14)11-6-5-9(2)8-10(11)3/h4-6,8,12H,1,7H2,2-3H3
InChIKeyFOBJPOOITRKNOS-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.77
Rot. Bonds4

About 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide

2,4-dimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 19681800) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID19681800
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO2S/c1-4-7-12-15(13,14)11-6-5-9(2)8-10(11)3/h4-6,8,12H,1,7H2,2-3H3
InChIKeyFOBJPOOITRKNOS-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 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 ≤ 51.77
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-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
CID 11379736
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
CID 110873967
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide (CID 19681800) is 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FOBJPOOITRKNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-7-12-15(13,14)11-6-5-9(2)8-10(11)3/h4-6,8,12H,1,7H2,2-3H3.
What are the key properties of 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 19681800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).