N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide

C17H15NO2S — CID 71890358

IUPACN-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)C=Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H15NO2S/c1-3-15-5-4-6-17(13-15)18-21(19,20)12-11-16-9-7-14(2)8-10-16/h1,4-13,18H,2H3
InChIKeyHUMQFFRIBPAZCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.39
Rot. Bonds4

About N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide

N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 71890358) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID71890358
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)C=Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H15NO2S/c1-3-15-5-4-6-17(13-15)18-21(19,20)12-11-16-9-7-14(2)8-10-16/h1,4-13,18H,2H3
InChIKeyHUMQFFRIBPAZCB-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide (CID 71890358) is N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide is C#Cc1cccc(NS(=O)(=O)C=Cc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is HUMQFFRIBPAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-3-15-5-4-6-17(13-15)18-21(19,20)12-11-16-9-7-14(2)8-10-16/h1,4-13,18H,2H3.
What are the key properties of N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 71890358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).