4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C23H23FN2O3S — CID 55349044

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-16-4-13-22(14-17(16)2)30(28,29)25-21-11-7-19(8-12-21)23(27)26(3)15-18-5-9-20(24)10-6-18/h4-14,25H,15H2,1-3H3
InChIKeyVVZVJFQZSGEOIX-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.52
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 55349044) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID55349044
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-16-4-13-22(14-17(16)2)30(28,29)25-21-11-7-19(8-12-21)23(27)26(3)15-18-5-9-20(24)10-6-18/h4-14,25H,15H2,1-3H3
InChIKeyVVZVJFQZSGEOIX-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619602
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 55349044) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is VVZVJFQZSGEOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16-4-13-22(14-17(16)2)30(28,29)25-21-11-7-19(8-12-21)23(27)26(3)15-18-5-9-20(24)10-6-18/h4-14,25H,15H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 426.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).