(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide

C14H12BrNO2S — CID 6304004

IUPAC(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2S/c15-13-6-8-14(9-7-13)16-19(17,18)11-10-12-4-2-1-3-5-12/h1-11,16H/b11-10+
InChIKeyZXIOIEODTZUVFQ-ZHACJKMWSA-N
MW338.23 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide

(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide (PubChem CID 6304004) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide
PubChem CID6304004
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2S/c15-13-6-8-14(9-7-13)16-19(17,18)11-10-12-4-2-1-3-5-12/h1-11,16H/b11-10+
InChIKeyZXIOIEODTZUVFQ-ZHACJKMWSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide (CID 6304004) is (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide?
The InChIKey is ZXIOIEODTZUVFQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c15-13-6-8-14(9-7-13)16-19(17,18)11-10-12-4-2-1-3-5-12/h1-11,16H/b11-10+.
What are the key properties of (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide?
(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide has a molecular weight of 338.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 6304004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).