(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide

C17H19NO2S — CID 26952385

IUPAC(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-16-11-7-8-14(2)17(16)18-21(19,20)13-12-15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3/b13-12+
InChIKeyBEZJVLUVXTZCSU-OUKQBFOZSA-N
MW301.41 g/mol
LogP3.97
Rot. Bonds5

About (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide

(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide (PubChem CID 26952385) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide
PubChem CID26952385
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-16-11-7-8-14(2)17(16)18-21(19,20)13-12-15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3/b13-12+
InChIKeyBEZJVLUVXTZCSU-OUKQBFOZSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835205
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide (CID 26952385) is (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide?
The InChIKey is BEZJVLUVXTZCSU-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-16-11-7-8-14(2)17(16)18-21(19,20)13-12-15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3/b13-12+.
What are the key properties of (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide?
(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 26952385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).