N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C22H20F2N2O3S2 — CID 26180986

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)cc1
InChIInChI=1S/C22H20F2N2O3S2/c1-15-7-13-18(14-8-15)31(28,29)26(2)17-11-9-16(10-12-17)21(27)25-19-5-3-4-6-20(19)30-22(23)24/h3-14,22H,1-2H3,(H,25,27)
InChIKeyOSHQXQNLDQCKMT-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.39
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 26180986) has the molecular formula C22H20F2N2O3S2 and a molecular weight of 462.54 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID26180986
Molecular FormulaC22H20F2N2O3S2
Molecular Weight462.54 g/mol
Exact Mass462.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)cc1
InChIInChI=1S/C22H20F2N2O3S2/c1-15-7-13-18(14-8-15)31(28,29)26(2)17-11-9-16(10-12-17)21(27)25-19-5-3-4-6-20(19)30-22(23)24/h3-14,22H,1-2H3,(H,25,27)
InChIKeyOSHQXQNLDQCKMT-UHFFFAOYSA-N
XLogP5.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700622
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 26180986) is N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is OSHQXQNLDQCKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S2/c1-15-7-13-18(14-8-15)31(28,29)26(2)17-11-9-16(10-12-17)21(27)25-19-5-3-4-6-20(19)30-22(23)24/h3-14,22H,1-2H3,(H,25,27).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 462.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26180986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).