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

C22H21FN2O3S — CID 9342427

IUPACN-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1F
InChIInChI=1S/C22H21FN2O3S/c1-14-6-4-9-21(16(14)3)24-22(26)17-7-5-8-18(12-17)25-29(27,28)19-11-10-15(2)20(23)13-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUDAFBKILRBUBQA-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.80
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 9342427) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID9342427
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1F
InChIInChI=1S/C22H21FN2O3S/c1-14-6-4-9-21(16(14)3)24-22(26)17-7-5-8-18(12-17)25-29(27,28)19-11-10-15(2)20(23)13-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUDAFBKILRBUBQA-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

2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 34752536
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 9342427) is N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1F.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UDAFBKILRBUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-14-6-4-9-21(16(14)3)24-22(26)17-7-5-8-18(12-17)25-29(27,28)19-11-10-15(2)20(23)13-19/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]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 N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 9342427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).