N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide

C20H19NO2S — CID 801879

IUPACN-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C20H19NO2S/c1-15-8-11-19(14-16(15)2)21-24(22,23)20-12-9-18(10-13-20)17-6-4-3-5-7-17/h3-14,21H,1-2H3
InChIKeyPPMMMJNEVMYOQJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.77
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide

N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide (PubChem CID 801879) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide
PubChem CID801879
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C20H19NO2S/c1-15-8-11-19(14-16(15)2)21-24(22,23)20-12-9-18(10-13-20)17-6-4-3-5-7-17/h3-14,21H,1-2H3
InChIKeyPPMMMJNEVMYOQJ-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide (CID 801879) is N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is PPMMMJNEVMYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15-8-11-19(14-16(15)2)21-24(22,23)20-12-9-18(10-13-20)17-6-4-3-5-7-17/h3-14,21H,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide?
N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 801879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).