N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide

C15H15NO3S2 — CID 72690490

IUPACN-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
SMILESCS(=O)c1cccc(NS(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C15H15NO3S2/c1-20(17)15-9-5-8-14(12-15)16-21(18,19)11-10-13-6-3-2-4-7-13/h2-12,16H,1H3
InChIKeyDKEVTWXIGJDZGM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.84
Rot. Bonds5

About N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide

N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide (PubChem CID 72690490) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
PubChem CID72690490
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
SMILESCS(=O)c1cccc(NS(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C15H15NO3S2/c1-20(17)15-9-5-8-14(12-15)16-21(18,19)11-10-13-6-3-2-4-7-13/h2-12,16H,1H3
InChIKeyDKEVTWXIGJDZGM-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
CID 75524808
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide (CID 72690490) is N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide is CS(=O)c1cccc(NS(=O)(=O)C=Cc2ccccc2)c1.
What is the InChIKey of N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The InChIKey is DKEVTWXIGJDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-20(17)15-9-5-8-14(12-15)16-21(18,19)11-10-13-6-3-2-4-7-13/h2-12,16H,1H3.
What are the key properties of N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide?
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 72690490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).