(E)-N,2-bis(4-methylphenyl)ethenesulfonamide

C16H17NO2S — CID 1487571

IUPAC(E)-N,2-bis(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-3-7-15(8-4-13)11-12-20(18,19)17-16-9-5-14(2)6-10-16/h3-12,17H,1-2H3/b12-11+
InChIKeyPEDMIZBKOBWUAP-VAWYXSNFSA-N
MW287.38 g/mol
LogP3.72
Rot. Bonds4

About (E)-N,2-bis(4-methylphenyl)ethenesulfonamide

(E)-N,2-bis(4-methylphenyl)ethenesulfonamide (PubChem CID 1487571) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (E)-N,2-bis(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N,2-bis(4-methylphenyl)ethenesulfonamide
PubChem CID1487571
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(E)-N,2-bis(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-3-7-15(8-4-13)11-12-20(18,19)17-16-9-5-14(2)6-10-16/h3-12,17H,1-2H3/b12-11+
InChIKeyPEDMIZBKOBWUAP-VAWYXSNFSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-bis(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N,2-bis(4-methylphenyl)ethenesulfonamide (CID 1487571) is (E)-N,2-bis(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N,2-bis(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N,2-bis(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N,2-bis(4-methylphenyl)ethenesulfonamide?
The InChIKey is PEDMIZBKOBWUAP-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13-3-7-15(8-4-13)11-12-20(18,19)17-16-9-5-14(2)6-10-16/h3-12,17H,1-2H3/b12-11+.
What are the key properties of (E)-N,2-bis(4-methylphenyl)ethenesulfonamide?
(E)-N,2-bis(4-methylphenyl)ethenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-bis(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 1487571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).