4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide

C13H20N2O5S2 — CID 113065291

IUPAC4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=CCN(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S2/c1-4-10-15(21(3,16)17)11-9-14-22(18,19)13-7-5-12(20-2)6-8-13/h4-8,14H,1,9-11H2,2-3H3
InChIKeyLOGIMEOBQYEOSK-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.42
Rot. Bonds9

About 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide

4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide (PubChem CID 113065291) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
PubChem CID113065291
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC Name4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
SMILESC=CCN(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O5S2/c1-4-10-15(21(3,16)17)11-9-14-22(18,19)13-7-5-12(20-2)6-8-13/h4-8,14H,1,9-11H2,2-3H3
InChIKeyLOGIMEOBQYEOSK-UHFFFAOYSA-N
XLogP0.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
2-chloro-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065331
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113065559
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide (CID 113065291) is 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide is C=CCN(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
The InChIKey is LOGIMEOBQYEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-4-10-15(21(3,16)17)11-9-14-22(18,19)13-7-5-12(20-2)6-8-13/h4-8,14H,1,9-11H2,2-3H3.
What are the key properties of 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide?
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113065291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).