(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide

C14H11BrFNO2S — CID 71745138

IUPAC(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11BrFNO2S/c15-12-3-1-11(2-4-12)9-10-20(18,19)17-14-7-5-13(16)6-8-14/h1-10,17H/b10-9+
InChIKeyDGEJASAJCSECAW-MDZDMXLPSA-N
MW356.22 g/mol
LogP4.00
Rot. Bonds4

About (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide

(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide (PubChem CID 71745138) has the molecular formula C14H11BrFNO2S and a molecular weight of 356.22 g/mol. Its IUPAC name is (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide
PubChem CID71745138
Molecular FormulaC14H11BrFNO2S
Molecular Weight356.22 g/mol
Exact Mass354.97
IUPAC Name(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11BrFNO2S/c15-12-3-1-11(2-4-12)9-10-20(18,19)17-14-7-5-13(16)6-8-14/h1-10,17H/b10-9+
InChIKeyDGEJASAJCSECAW-MDZDMXLPSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide (CID 71745138) is (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1.
What is the InChIKey of (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The InChIKey is DGEJASAJCSECAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H11BrFNO2S/c15-12-3-1-11(2-4-12)9-10-20(18,19)17-14-7-5-13(16)6-8-14/h1-10,17H/b10-9+.
What are the key properties of (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide has a molecular weight of 356.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide is sourced from PubChem (CID 71745138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).