4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide

C21H19NO3S2 — CID 51316561

IUPAC4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S2/c1-27(24,25)15-16-11-13-17(14-12-16)21(23)22-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyAUVZSNIFJWIOHD-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.63
Rot. Bonds6

About 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide

4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 51316561) has the molecular formula C21H19NO3S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID51316561
Molecular FormulaC21H19NO3S2
Molecular Weight397.52 g/mol
Exact Mass397.08
IUPAC Name4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S2/c1-27(24,25)15-16-11-13-17(14-12-16)21(23)22-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyAUVZSNIFJWIOHD-UHFFFAOYSA-N
XLogP4.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
CID 126271468
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
N-(4-methyl-2-phenylsulfanylphenyl)benzamide
CID 164683157
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100766585
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide (CID 51316561) is 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is AUVZSNIFJWIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S2/c1-27(24,25)15-16-11-13-17(14-12-16)21(23)22-19-9-5-6-10-20(19)26-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide?
4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 51316561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).