4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide

C21H21NO4S — CID 56670345

IUPAC4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide
SMILESCOc1cc(NS(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H21NO4S/c1-24-19-13-17(14-20(25-2)21(19)26-3)22-27(23)18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14,22H,1-3H3
InChIKeyVNGVPVOWSARLEW-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.51
Rot. Bonds7

About 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide

4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide (PubChem CID 56670345) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide.

Molecular Properties

Compound Name4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide
PubChem CID56670345
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide
SMILESCOc1cc(NS(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H21NO4S/c1-24-19-13-17(14-20(25-2)21(19)26-3)22-27(23)18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14,22H,1-3H3
InChIKeyVNGVPVOWSARLEW-UHFFFAOYSA-N
XLogP4.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide?
The IUPAC name of 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide (CID 56670345) is 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide.
What is the SMILES notation for 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide?
The canonical SMILES for 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide is COc1cc(NS(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide?
The InChIKey is VNGVPVOWSARLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-24-19-13-17(14-20(25-2)21(19)26-3)22-27(23)18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14,22H,1-3H3.
What are the key properties of 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide?
4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide has a molecular weight of 383.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3,4,5-trimethoxyphenyl)benzenesulfinamide is sourced from PubChem (CID 56670345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).