3-methyl-4-prop-2-enoxybenzenesulfonamide

C10H13NO3S — CID 82921078

IUPAC3-methyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C10H13NO3S/c1-3-6-14-10-5-4-9(7-8(10)2)15(11,12)13/h3-5,7H,1,6H2,2H3,(H2,11,12,13)
InChIKeyBSLYVRGKQJGWCE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-4-prop-2-enoxybenzenesulfonamide

3-methyl-4-prop-2-enoxybenzenesulfonamide (PubChem CID 82921078) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-methyl-4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-prop-2-enoxybenzenesulfonamide
PubChem CID82921078
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-methyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C10H13NO3S/c1-3-6-14-10-5-4-9(7-8(10)2)15(11,12)13/h3-5,7H,1,6H2,2H3,(H2,11,12,13)
InChIKeyBSLYVRGKQJGWCE-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.21
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

4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
3-prop-2-enoxybenzenesulfonamide
CID 71302797
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 64773470
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
CID 82921954
4-but-3-enoxy-3-tert-butylbenzenesulfonamide
CID 82915270
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of 3-methyl-4-prop-2-enoxybenzenesulfonamide (CID 82921078) is 3-methyl-4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for 3-methyl-4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 3-methyl-4-prop-2-enoxybenzenesulfonamide?
The InChIKey is BSLYVRGKQJGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-6-14-10-5-4-9(7-8(10)2)15(11,12)13/h3-5,7H,1,6H2,2H3,(H2,11,12,13).
What are the key properties of 3-methyl-4-prop-2-enoxybenzenesulfonamide?
3-methyl-4-prop-2-enoxybenzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 82921078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).