(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide

C17H19NO2S — CID 13264624

IUPAC(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-18(17-11-9-15(2)10-12-17)21(19,20)14-13-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b14-13+
InChIKeyGVQONKXPCGEZIB-BUHFOSPRSA-N
MW301.41 g/mol
LogP3.82
Rot. Bonds5

About (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide

(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide (PubChem CID 13264624) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
PubChem CID13264624
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-18(17-11-9-15(2)10-12-17)21(19,20)14-13-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b14-13+
InChIKeyGVQONKXPCGEZIB-BUHFOSPRSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
CID 47062841
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174
ethyl 2-phenylethenesulfonate;toluene
CID 162188336
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
CID 115755506
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide (CID 13264624) is (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide is CCN(c1ccc(C)cc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide?
The InChIKey is GVQONKXPCGEZIB-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-18(17-11-9-15(2)10-12-17)21(19,20)14-13-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b14-13+.
What are the key properties of (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide?
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 13264624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).