(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide

C15H11ClF3NO2S — CID 8523325

IUPAC(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H/b9-8+
InChIKeyTXCRMKLMQYYADK-CMDGGOBGSA-N
MW361.77 g/mol
LogP4.77
Rot. Bonds4

About (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide

(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide (PubChem CID 8523325) has the molecular formula C15H11ClF3NO2S and a molecular weight of 361.77 g/mol. Its IUPAC name is (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
PubChem CID8523325
Molecular FormulaC15H11ClF3NO2S
Molecular Weight361.77 g/mol
Exact Mass361.02
IUPAC Name(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H/b9-8+
InChIKeyTXCRMKLMQYYADK-CMDGGOBGSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
CID 8538690
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61454443
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 4072285
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
3-[4-chloro-3-(trifluoromethyl)anilino]-1-phenylprop-2-en-1-one
CID 886075

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide (CID 8523325) is (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is TXCRMKLMQYYADK-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)20-23(21,22)9-8-11-4-2-1-3-5-11/h1-10,20H/b9-8+.
What are the key properties of (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 361.77 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 8523325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).