(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide

C15H14FNO3S2 — CID 75535525

IUPAC(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
SMILESCS(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO3S2/c1-21(18)15-8-7-13(11-14(15)16)17-22(19,20)10-9-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-9+
InChIKeyNXSXWABWGDTSMQ-MDZDMXLPSA-N
MW339.41 g/mol
LogP2.98
Rot. Bonds5

About (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide

(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide (PubChem CID 75535525) has the molecular formula C15H14FNO3S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
PubChem CID75535525
Molecular FormulaC15H14FNO3S2
Molecular Weight339.41 g/mol
Exact Mass339.04
IUPAC Name(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
SMILESCS(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO3S2/c1-21(18)15-8-7-13(11-14(15)16)17-22(19,20)10-9-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-9+
InChIKeyNXSXWABWGDTSMQ-MDZDMXLPSA-N
XLogP2.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
CID 8523325
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 26950186
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
CID 8603510
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 70038153

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide (CID 75535525) is (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide is CS(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1F.
What is the InChIKey of (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide?
The InChIKey is NXSXWABWGDTSMQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14FNO3S2/c1-21(18)15-8-7-13(11-14(15)16)17-22(19,20)10-9-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-9+.
What are the key properties of (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide?
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 75535525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).