3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

C20H19NO2S — CID 2105853

IUPAC3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C20H19NO2S/c1-15-12-13-18(14-16(15)2)24(22,23)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14,21H,1-2H3
InChIKeyIQNOYMCGOALXJV-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.77
Rot. Bonds4

About 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 2105853) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID2105853
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C20H19NO2S/c1-15-12-13-18(14-16(15)2)24(22,23)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14,21H,1-2H3
InChIKeyIQNOYMCGOALXJV-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 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (CID 2105853) is 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is IQNOYMCGOALXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15-12-13-18(14-16(15)2)24(22,23)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14,21H,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide 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 3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 2105853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).