4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide

C22H21FN2O3S — CID 26886474

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cc1C
InChIInChI=1S/C22H21FN2O3S/c1-14-4-10-20(13-15(14)2)29(27,28)25-19-8-5-17(6-9-19)22(26)24-21-11-7-18(23)12-16(21)3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyIALCWOUIUJILHQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.80
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 26886474) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID26886474
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cc1C
InChIInChI=1S/C22H21FN2O3S/c1-14-4-10-20(13-15(14)2)29(27,28)25-19-8-5-17(6-9-19)22(26)24-21-11-7-18(23)12-16(21)3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyIALCWOUIUJILHQ-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide (CID 26886474) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is IALCWOUIUJILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-14-4-10-20(13-15(14)2)29(27,28)25-19-8-5-17(6-9-19)22(26)24-21-11-7-18(23)12-16(21)3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 26886474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).