N-methoxy-N-methyl-2-phenylethenesulfonamide

C10H13NO3S — CID 76873216

IUPACN-methoxy-N-methyl-2-phenylethenesulfonamide
SMILESCON(C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C10H13NO3S/c1-11(14-2)15(12,13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyBXDFXUOZUZOMIG-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.48
Rot. Bonds4

About N-methoxy-N-methyl-2-phenylethenesulfonamide

N-methoxy-N-methyl-2-phenylethenesulfonamide (PubChem CID 76873216) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-phenylethenesulfonamide
PubChem CID76873216
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC NameN-methoxy-N-methyl-2-phenylethenesulfonamide
SMILESCON(C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C10H13NO3S/c1-11(14-2)15(12,13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyBXDFXUOZUZOMIG-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
CID 15075079
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
lanthanum;phosphanyl 2-phenylethenesulfonate
CID 175140449
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
carboxy 2-phenylethenesulfonate
CID 174718044
N,N-dimethylmethanamine;stilbene
CID 174368184
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
CID 42947447

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-2-phenylethenesulfonamide (CID 76873216) is N-methoxy-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-2-phenylethenesulfonamide is CON(C)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-2-phenylethenesulfonamide?
The InChIKey is BXDFXUOZUZOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-11(14-2)15(12,13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-phenylethenesulfonamide?
N-methoxy-N-methyl-2-phenylethenesulfonamide has a molecular weight of 227.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 76873216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).