2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide

C21H21NO2S — CID 1068533

IUPAC2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-15-13-16(2)21(17(3)14-15)25(23,24)22-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,22H,1-3H3
InChIKeyMARBUXQLJNSOOJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.08
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide

2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 1068533) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID1068533
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-15-13-16(2)21(17(3)14-15)25(23,24)22-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,22H,1-3H3
InChIKeyMARBUXQLJNSOOJ-UHFFFAOYSA-N
XLogP5.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide (CID 1068533) is 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is MARBUXQLJNSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15-13-16(2)21(17(3)14-15)25(23,24)22-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,22H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 1068533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).