(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide

C16H17NO2S2 — CID 90481144

IUPAC(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO2S2/c1-13-6-8-14(9-7-13)10-11-21(18,19)17-15-4-3-5-16(12-15)20-2/h3-12,17H,1-2H3/b11-10+
InChIKeyGMCBXHCGNLMAJR-ZHACJKMWSA-N
MW319.45 g/mol
LogP4.13
Rot. Bonds5

About (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide

(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide (PubChem CID 90481144) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
PubChem CID90481144
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO2S2/c1-13-6-8-14(9-7-13)10-11-21(18,19)17-15-4-3-5-16(12-15)20-2/h3-12,17H,1-2H3/b11-10+
InChIKeyGMCBXHCGNLMAJR-ZHACJKMWSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71890358
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 90481130
N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835207
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882
N-(3-fluorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26579069
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide (CID 90481144) is (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide is CSc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide?
The InChIKey is GMCBXHCGNLMAJR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-13-6-8-14(9-7-13)10-11-21(18,19)17-15-4-3-5-16(12-15)20-2/h3-12,17H,1-2H3/b11-10+.
What are the key properties of (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide has a molecular weight of 319.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide is sourced from PubChem (CID 90481144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).