N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

C21H18F2N2O3S — CID 3249145

IUPACN-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1
InChIInChI=1S/C21H18F2N2O3S/c1-13-5-3-6-16(11-13)25-29(27,28)19-12-15(10-9-14(19)2)21(26)24-20-17(22)7-4-8-18(20)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyPZNRKHLGJYXODW-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.63
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 3249145) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID3249145
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1
InChIInChI=1S/C21H18F2N2O3S/c1-13-5-3-6-16(11-13)25-29(27,28)19-12-15(10-9-14(19)2)21(26)24-20-17(22)7-4-8-18(20)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyPZNRKHLGJYXODW-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 5184289
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
N-[4-(cyanomethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1249944
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414636
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 30489963
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46799199

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 3249145) is N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is PZNRKHLGJYXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-13-5-3-6-16(11-13)25-29(27,28)19-12-15(10-9-14(19)2)21(26)24-20-17(22)7-4-8-18(20)23/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.63, 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)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3249145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).