N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C22H20F2N2O3S — CID 5184289

IUPACN-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c(C)c1
InChIInChI=1S/C22H20F2N2O3S/c1-13-7-10-19(15(3)11-13)26-30(28,29)20-12-16(9-8-14(20)2)22(27)25-21-17(23)5-4-6-18(21)24/h4-12,26H,1-3H3,(H,25,27)
InChIKeyBPJNVOACJVBEQM-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.94
Rot. Bonds5

About N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 5184289) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID5184289
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c(C)c1
InChIInChI=1S/C22H20F2N2O3S/c1-13-7-10-19(15(3)11-13)26-30(28,29)20-12-16(9-8-14(20)2)22(27)25-21-17(23)5-4-6-18(21)24/h4-12,26H,1-3H3,(H,25,27)
InChIKeyBPJNVOACJVBEQM-UHFFFAOYSA-N
XLogP4.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-nitrophenyl)benzamide
CID 126416054
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 5184289) is N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c(C)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is BPJNVOACJVBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-13-7-10-19(15(3)11-13)26-30(28,29)20-12-16(9-8-14(20)2)22(27)25-21-17(23)5-4-6-18(21)24/h4-12,26H,1-3H3,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 430.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 5184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).