4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide

C23H24BrNO2S — CID 3869524

IUPAC4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrNO2S/c1-2-18-17-21(24)13-14-23(18)28(26,27)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22,25H,2,15-16H2,1H3
InChIKeyHFCXNVDAUZPTAS-UHFFFAOYSA-N
MW458.42 g/mol
LogP5.51
Rot. Bonds8

About 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide

4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide (PubChem CID 3869524) has the molecular formula C23H24BrNO2S and a molecular weight of 458.42 g/mol. Its IUPAC name is 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
PubChem CID3869524
Molecular FormulaC23H24BrNO2S
Molecular Weight458.42 g/mol
Exact Mass457.07
IUPAC Name4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrNO2S/c1-2-18-17-21(24)13-14-23(18)28(26,27)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22,25H,2,15-16H2,1H3
InChIKeyHFCXNVDAUZPTAS-UHFFFAOYSA-N
XLogP5.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide (CID 3869524) is 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide?
The InChIKey is HFCXNVDAUZPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO2S/c1-2-18-17-21(24)13-14-23(18)28(26,27)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22,25H,2,15-16H2,1H3.
What are the key properties of 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide?
4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide has a molecular weight of 458.42 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 3869524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).