4-(2,2-diphenylethoxy)benzenesulfonamide

C20H19NO3S — CID 118729475

IUPAC4-(2,2-diphenylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c21-25(22,23)19-13-11-18(12-14-19)24-15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H2,21,22,23)
InChIKeySQRBDZHKOWRCJO-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.54
Rot. Bonds6

About 4-(2,2-diphenylethoxy)benzenesulfonamide

4-(2,2-diphenylethoxy)benzenesulfonamide (PubChem CID 118729475) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(2,2-diphenylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-diphenylethoxy)benzenesulfonamide
PubChem CID118729475
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-(2,2-diphenylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c21-25(22,23)19-13-11-18(12-14-19)24-15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H2,21,22,23)
InChIKeySQRBDZHKOWRCJO-UHFFFAOYSA-N
XLogP3.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethoxy)benzenesulfonamide?
The IUPAC name of 4-(2,2-diphenylethoxy)benzenesulfonamide (CID 118729475) is 4-(2,2-diphenylethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-diphenylethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2,2-diphenylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2,2-diphenylethoxy)benzenesulfonamide?
The InChIKey is SQRBDZHKOWRCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c21-25(22,23)19-13-11-18(12-14-19)24-15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H2,21,22,23).
What are the key properties of 4-(2,2-diphenylethoxy)benzenesulfonamide?
4-(2,2-diphenylethoxy)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethoxy)benzenesulfonamide is sourced from PubChem (CID 118729475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).