N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide

C26H23NO2S — CID 175158278

IUPACN,3-dimethyl-2,4,5-triphenylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccccc2)c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C26H23NO2S/c1-19-25(21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)18-24(30(28,29)27-2)26(19)22-16-10-5-11-17-22/h3-18,27H,1-2H3
InChIKeyMODDMFKNAYXCCW-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.90
Rot. Bonds5

About N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide

N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide (PubChem CID 175158278) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2,4,5-triphenylbenzenesulfonamide
PubChem CID175158278
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC NameN,3-dimethyl-2,4,5-triphenylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccccc2)c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C26H23NO2S/c1-19-25(21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)18-24(30(28,29)27-2)26(19)22-16-10-5-11-17-22/h3-18,27H,1-2H3
InChIKeyMODDMFKNAYXCCW-UHFFFAOYSA-N
XLogP5.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide?
The IUPAC name of N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide (CID 175158278) is N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide?
The canonical SMILES for N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide is CNS(=O)(=O)c1cc(-c2ccccc2)c(-c2ccccc2)c(C)c1-c1ccccc1.
What is the InChIKey of N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide?
The InChIKey is MODDMFKNAYXCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2S/c1-19-25(21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)18-24(30(28,29)27-2)26(19)22-16-10-5-11-17-22/h3-18,27H,1-2H3.
What are the key properties of N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide?
N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide is sourced from PubChem (CID 175158278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).