2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide

C20H19NO2S — CID 925055

IUPAC2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO2S/c1-15-8-9-16(2)20(14-15)24(22,23)21-19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,21H,1-2H3
InChIKeyICSHMGSVEUABOZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.77
Rot. Bonds4

About 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide

2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide (PubChem CID 925055) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
PubChem CID925055
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO2S/c1-15-8-9-16(2)20(14-15)24(22,23)21-19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,21H,1-2H3
InChIKeyICSHMGSVEUABOZ-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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Related Compounds

1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
2,6-dimethyl-3-[(4-phenylphenyl)sulfamoyl]benzoic acid
CID 20505965
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide (CID 925055) is 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide?
The InChIKey is ICSHMGSVEUABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15-8-9-16(2)20(14-15)24(22,23)21-19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,21H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide?
2,5-dimethyl-N-(4-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 2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 925055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).