5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

C12H15NO4S — CID 39368097

IUPAC5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(C)=O)ccc1OC
InChIInChI=1S/C12H15NO4S/c1-4-7-13-18(15,16)12-8-10(9(2)14)5-6-11(12)17-3/h4-6,8,13H,1,7H2,2-3H3
InChIKeyTYXUQSRQGWLLCM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.36
Rot. Bonds6

About 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 39368097) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID39368097
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(C)=O)ccc1OC
InChIInChI=1S/C12H15NO4S/c1-4-7-13-18(15,16)12-8-10(9(2)14)5-6-11(12)17-3/h4-6,8,13H,1,7H2,2-3H3
InChIKeyTYXUQSRQGWLLCM-UHFFFAOYSA-N
XLogP1.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052336
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 17462586
5-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55913569

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 39368097) is 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(C(C)=O)ccc1OC.
What is the InChIKey of 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is TYXUQSRQGWLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-4-7-13-18(15,16)12-8-10(9(2)14)5-6-11(12)17-3/h4-6,8,13H,1,7H2,2-3H3.
What are the key properties of 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 269.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 39368097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).