1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide

C11H13Cl2NO2S — CID 126827046

IUPAC1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide
SMILESCCN(C)S(=O)(=O)C(Cl)=C(Cl)c1ccccc1
InChIInChI=1S/C11H13Cl2NO2S/c1-3-14(2)17(15,16)11(13)10(12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyXTCKMEBNOGOEPK-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.07
Rot. Bonds4

About 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide

1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide (PubChem CID 126827046) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide
PubChem CID126827046
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide
SMILESCCN(C)S(=O)(=O)C(Cl)=C(Cl)c1ccccc1
InChIInChI=1S/C11H13Cl2NO2S/c1-3-14(2)17(15,16)11(13)10(12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyXTCKMEBNOGOEPK-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine
CID 71758060
1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine
CID 112547096
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
[(E)-1,2-dichloro-2-ethylselanylethenyl]benzene
CID 10588787
benzoic acid;benzoyl chloride
CID 87427055
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride
CID 171778715
benzoyl chloride;selane
CID 174449470
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
(1E)-1-hydroxyimino-N,N-dimethyl-1-phenylmethanesulfonamide
CID 24977574

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide (CID 126827046) is 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide is CCN(C)S(=O)(=O)C(Cl)=C(Cl)c1ccccc1.
What is the InChIKey of 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide?
The InChIKey is XTCKMEBNOGOEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-3-14(2)17(15,16)11(13)10(12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide?
1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide has a molecular weight of 294.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-N-ethyl-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 126827046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).