4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide

C25H22N2O3S — CID 2353142

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1
InChIInChI=1S/C25H22N2O3S/c1-17-10-11-18(2)24(16-17)31(29,30)27-21-14-12-20(13-15-21)25(28)26-23-9-5-7-19-6-3-4-8-22(19)23/h3-16,27H,1-2H3,(H,26,28)
InChIKeyZFECLBZPQNTKHY-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.51
Rot. Bonds5

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide (PubChem CID 2353142) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
PubChem CID2353142
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1
InChIInChI=1S/C25H22N2O3S/c1-17-10-11-18(2)24(16-17)31(29,30)27-21-14-12-20(13-15-21)25(28)26-23-9-5-7-19-6-3-4-8-22(19)23/h3-16,27H,1-2H3,(H,26,28)
InChIKeyZFECLBZPQNTKHY-UHFFFAOYSA-N
XLogP5.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18292040
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide (CID 2353142) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide?
The InChIKey is ZFECLBZPQNTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-17-10-11-18(2)24(16-17)31(29,30)27-21-14-12-20(13-15-21)25(28)26-23-9-5-7-19-6-3-4-8-22(19)23/h3-16,27H,1-2H3,(H,26,28).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide has a molecular weight of 430.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 2353142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).