2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide

C12H17NO3S — CID 110406486

IUPAC2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)CCc1cccc(OC)c1
InChIInChI=1S/C12H17NO3S/c1-3-8-13-17(14,15)9-7-11-5-4-6-12(10-11)16-2/h3-6,10,13H,1,7-9H2,2H3
InChIKeyMECTYAAWLBTFOO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.34
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide

2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide (PubChem CID 110406486) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
PubChem CID110406486
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)CCc1cccc(OC)c1
InChIInChI=1S/C12H17NO3S/c1-3-8-13-17(14,15)9-7-11-5-4-6-12(10-11)16-2/h3-6,10,13H,1,7-9H2,2H3
InChIKeyMECTYAAWLBTFOO-UHFFFAOYSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.34
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

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide (CID 110406486) is 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide is C=CCNS(=O)(=O)CCc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide?
The InChIKey is MECTYAAWLBTFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-8-13-17(14,15)9-7-11-5-4-6-12(10-11)16-2/h3-6,10,13H,1,7-9H2,2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide?
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide is sourced from PubChem (CID 110406486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).