2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide

C11H15NO3S — CID 82922074

IUPAC2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C11H15NO3S/c1-4-7-15-10-5-6-11(16(12,13)14)9(3)8(10)2/h4-6H,1,7H2,2-3H3,(H2,12,13,14)
InChIKeySKQOFCKFCBJLMN-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.52
Rot. Bonds4

About 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide

2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide (PubChem CID 82922074) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
PubChem CID82922074
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C11H15NO3S/c1-4-7-15-10-5-6-11(16(12,13)14)9(3)8(10)2/h4-6H,1,7H2,2-3H3,(H2,12,13,14)
InChIKeySKQOFCKFCBJLMN-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.52
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-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
4-but-3-en-2-yloxy-2,3-dimethylbenzenesulfonamide
CID 82921631
2-prop-2-enoxybenzenesulfonamide
CID 13321757
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
4-(4-cyano-4-methylpentoxy)-2,3-dimethylbenzenesulfonamide
CID 82913481
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82922072
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82913296

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide (CID 82922074) is 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide?
The InChIKey is SKQOFCKFCBJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-4-7-15-10-5-6-11(16(12,13)14)9(3)8(10)2/h4-6H,1,7H2,2-3H3,(H2,12,13,14).
What are the key properties of 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide?
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 82922074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).