N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide

C13H19NO3S — CID 103340514

IUPACN-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C13H19NO3S/c1-4-9-14(10-11-17-3)18(15,16)13-8-6-5-7-12(13)2/h4-8H,1,9-11H2,2-3H3
InChIKeyYUEAWIIOZYEJPW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.82
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide

N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 103340514) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID103340514
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C13H19NO3S/c1-4-9-14(10-11-17-3)18(15,16)13-8-6-5-7-12(13)2/h4-8H,1,9-11H2,2-3H3
InChIKeyYUEAWIIOZYEJPW-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
2,5-dibromo-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340007
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
3-N-(2-methoxyethyl)-3-N-prop-2-enylbenzene-1,3-disulfonamide
CID 103339915
2,4-difluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340564
5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340767
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340012
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
3-chloro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090912
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
1-ethyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyrrole-3-sulfonamide
CID 103340591

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide (CID 103340514) is N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CCOC)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is YUEAWIIOZYEJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-9-14(10-11-17-3)18(15,16)13-8-6-5-7-12(13)2/h4-8H,1,9-11H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide?
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 103340514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).