4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide

C23H20BrNO2S — CID 71597105

IUPAC4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2C=C(c3ccc(Br)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20BrNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27)
InChIKeyARZVUUIOARBQFS-UHFFFAOYSA-N
MW454.39 g/mol
LogP5.45
Rot. Bonds4

About 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide

4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide (PubChem CID 71597105) has the molecular formula C23H20BrNO2S and a molecular weight of 454.39 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
PubChem CID71597105
Molecular FormulaC23H20BrNO2S
Molecular Weight454.39 g/mol
Exact Mass453.04
IUPAC Name4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2C=C(c3ccc(Br)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20BrNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27)
InChIKeyARZVUUIOARBQFS-UHFFFAOYSA-N
XLogP5.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.39
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide (CID 71597105) is 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2C=C(c3ccc(Br)cc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The InChIKey is ARZVUUIOARBQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27).
What are the key properties of 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide has a molecular weight of 454.39 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide is sourced from PubChem (CID 71597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).